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#\#CIF_1.0 ################################################################################ # # # This CIF is a part of the B-IncStrDB # # (Bilbao Incommensurate Structures Database) # # http://www.cryst.ehu.eus/bincstrdb/ # # # # Please note that the structure of the CIF file may differ from the one # # deposited, as it may have been modified to comply with the standard. The # # file has been validated against official dictionaries as well as local # # dictionaries including non-standard data names used by SHELXL (Sheldrick, # # G. M. (2008). Acta Cryst. A 64, 112-122) and JANA (Petricek, V., Dusek, M. # # and Palatinus, L. (2014), Z. Kristallogr. 229, 345-352). # # # # For comments and/or criticisms, please e-mail to administrador-bcs@ehu.es # # # ################################################################################ data_global _audit_creation_method 'Jana2006 Version : 13/02/2020' # 1. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic 2022-02-28 _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted 2022-04-10 _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code GQ5015SUP1 _journal_coeditor_notes ; ? ; _journal_techeditor_code M220388 _iucr_compatibility_tag ACTA95 _journal_paper_category FA _journal_techeditor_notes ; ? ; _journal_name_full 'IUCrJ' _journal_volume 9 _journal_page_first 378 _journal_page_last 385 _journal_year 2022 _journal_paper_doi https://doi.org/10.1107/S2052252522003888 #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name 'Sander van Smaalen' _publ_contact_author_address ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany ; _publ_contact_author_email smash@uni-bayreuth.de _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_requested_journal 'IUCrJ' _publ_requested_category ? _publ_contact_letter ; ? ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; Orthorhombic charge density wave on the tetragonal lattice of EuAl~4~ ; _publ_section_title_footnote ; ? ; loop_ _publ_author_name _publ_author_address 'Sitaram Ramakrishnan' ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany Department of Quantum Matter Hiroshima University 739-8530 Higashi-Hiroshima Japan ; 'Surya Rohith Kotla' ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany ; 'Toms Rekis' ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany ; 'Jin-Ke Bao' ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany Department of Physics Materials Genome Institute and International Center for Quantum and \ Molecular Structures Shanghai University Shanghai 200444 People's Republic of China ; 'Claudio Eisele' ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany ; 'Leila Noohinejad' ; P24 PETRA III Deutsches Elektronen-Synchrotron DESY Notkestrasse 85 22607 Hamburg Germany ; 'Martin Tolkiehn' ; P24 PETRA III Deutsches Elektronen-Synchrotron DESY Notkestrasse 85 22607 Hamburg Germany ; 'Carsten Paulmann' ; P24 PETRA III Deutsches Elektronen-Synchrotron DESY Notkestrasse 85 22607 Hamburg Germany {Mineralogisch-Petrographisches Institut Universit\"at Hamburg, 0146 Hamburg Germany ; 'Birender Singh' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Rahul Verma' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Biplab Bag' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Ruta Kulkarni' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Arumugam Thamizhavel' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Bahadur Singh' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Srinivasan Ramakrishnan' ; Department of Condensed Matter Physics and Materials Science Tata Institute of Fundamental Research Mumbai 400005 India ; 'Sander van Smaalen' ; Laboratory of Crystallography University of Bayreuth 95447 Bayreuth Germany ; #======================================================================= # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_introduction ; ? ; _publ_section_experimental ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_exptl_solution ; ? ; _publ_section_discussion ; ? ; _publ_section_acknowledgements ; ? ; _publ_section_references ; Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352. Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790. # enable this reference if Diamond ver. 2 was used for visualization #Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR, Bonn, Germany. # enable this reference if Diamond ver. 3 was used for visualization #Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany. # enable this reference if SIR97 was used for solving of the structure #Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C., #Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997). #SIR97. A Package for Crystal Structure Solution by Direct Methods #and Refinement, Bari, Rome, Italy. # use this reference if SIR2002 was used for solving of the structure #Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C., #Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103 # use this reference if SIR2011 was used for solving of the structure #Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, #G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R. #SIR2011: a new package for crystal structure determination and refinement, #J.Appl.Cryst. (2012) 45, 357-361 # enable this reference if bond valences were calculated #Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480. # enable this reference if Xshape wase used for crystal shape refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany. # enable this reference if Flack coefficient was refined #Flack, H. D. (1983). Acta Cryst. A39, 876-881. ; _publ_section_figure_captions ; ? ; _publ_section_table_legends ; ? ; #======================================================================= data_I #======================================================================= # 5. CHEMICAL DATA _chemical_name_common EuAl4 _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Al4 Eu1' _chemical_formula_weight 259.9 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system tetragonal _space_group_name_H-M_alt 'I 4/m m m' _space_group_name_Hall '-I 4;-2' _space_group_IT_number 139 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z 3 -y,x,z 4 y,-x,z 5 -x,y,-z 6 x,-y,-z 7 y,x,-z 8 -y,-x,-z 9 -x,-y,-z 10 x,y,-z 11 y,-x,-z 12 -y,x,-z 13 x,-y,z 14 -x,y,z 15 -y,-x,z 16 y,x,z 17 x+1/2,y+1/2,z+1/2 18 -x+1/2,-y+1/2,z+1/2 19 -y+1/2,x+1/2,z+1/2 20 y+1/2,-x+1/2,z+1/2 21 -x+1/2,y+1/2,-z+1/2 22 x+1/2,-y+1/2,-z+1/2 23 y+1/2,x+1/2,-z+1/2 24 -y+1/2,-x+1/2,-z+1/2 25 -x+1/2,-y+1/2,-z+1/2 26 x+1/2,y+1/2,-z+1/2 27 y+1/2,-x+1/2,-z+1/2 28 -y+1/2,x+1/2,-z+1/2 29 x+1/2,-y+1/2,z+1/2 30 -x+1/2,y+1/2,z+1/2 31 -y+1/2,-x+1/2,z+1/2 32 y+1/2,x+1/2,z+1/2 _cell_length_a 4.39490(10) _cell_length_b 4.39490(10) _cell_length_c 11.1607(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 215.571(9) _cell_formula_units_Z 2 _cell_measurement_reflns_used 1000 _cell_measurement_theta_min 1.5 _cell_measurement_theta_max 20 _cell_measurement_temperature 250 _cell_special_details ? _exptl_crystal_density_diffrn 4.0038 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 230 _exptl_absorpt_coefficient_mu 5.873 _exptl_crystal_description irregular _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.02 _exptl_crystal_size_rad ? _exptl_crystal_colour Black _exptl_absorpt_correction_type 'empirical' _exptl_absorpt_process_details 'SADABS, Program for Empirical Absorption Correction of Area Detector Data, G. M. Sheldrick, 1996' _exptl_absorpt_correction_T_min 0.3211 _exptl_absorpt_correction_T_max 0.3712 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist ? ? ? ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 250 _diffrn_source 'synchrotron' _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type 'synchrotron' #_diffrn_radiation_source 'synchrotron' _diffrn_radiation_wavelength 0.5 _diffrn_radiation_monochromator 'Si111 and Si311' _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Huber four-circle diffractometer' _diffrn_detector 'Pilatus CdTe 1M' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method 'area detector with phi scans' _diffrn_measurement_specimen_support 'glass fiber' _diffrn_reflns_number 1407 _diffrn_reflns_theta_min 2.57 _diffrn_reflns_theta_max 19.96 _diffrn_reflns_theta_full 19.96 _diffrn_measured_fraction_theta_max 0.98 _diffrn_measured_fraction_theta_full 0.98 _diffrn_reflns_av_R_equivalents 0.0374 _diffrn_reflns_av_unetI/netI 0.0164 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -6 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe x-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 109 _reflns_number_gt 109 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0147 _refine_ls_wR_factor_gt 0.0214 _refine_ls_R_factor_all 0.0147 _refine_ls_wR_factor_ref 0.0214 _refine_ls_goodness_of_fit_ref 1.53 _refine_ls_goodness_of_fit_gt 1.53 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 109 _refine_ls_number_parameters 9 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0001 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_max 1.15 _refine_diff_density_min -1.35 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 80(70) _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Al 0.0323 0.0251 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Eu -0.5035 2.0178 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group Eu1 Eu 0 0 0 Uani 0.0098(2) 2 1 d . . . Al1 Al 0 0.5 0.25 Uani 0.0107(5) 4 1 d . . . Al2 Al 0 0 0.3849(2) Uani 0.0102(5) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Eu1 Eu 0.0083(3) 0.0083(3) 0.0126(4) 0 0 0 Al1 Al 0.0112(8) 0.0112(8) 0.0098(10) 0 0 0 Al2 Al 0.0103(8) 0.0103(8) 0.0099(10) 0 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Eu1 Eu1 . 1_455 4.3949(2) ? Eu1 Eu1 . 1_545 4.3949(2) ? Eu1 Eu1 . 1_565 4.3949(2) ? Eu1 Eu1 . 1_655 4.3949(2) ? Eu1 Al1 . 1_545 3.55160(13) ? Eu1 Al1 . . 3.55160(13) ? Eu1 Al1 . 17_444 3.55160(13) ? Eu1 Al1 . 17_544 3.55160(13) ? Eu1 Al1 . 3_555 3.55160(13) ? Eu1 Al1 . 3_655 3.55160(13) ? Eu1 Al1 . 19_544 3.55160(13) ? Eu1 Al1 . 19_554 3.55160(13) ? Eu1 Al2 . . 4.296(3) ? Eu1 Al2 . 17_444 3.3625(10) ? Eu1 Al2 . 17_454 3.3625(10) ? Eu1 Al2 . 17_544 3.3625(10) ? Eu1 Al2 . 17_554 3.3625(10) ? Eu1 Al2 . 5_555 4.296(3) ? Eu1 Al2 . 21_445 3.3625(10) ? Eu1 Al2 . 21_455 3.3625(10) ? Eu1 Al2 . 21_545 3.3625(10) ? Eu1 Al2 . 21_555 3.3625(10) ? Al1 Al1 . 1_455 4.3949(2) ? Al1 Al1 . 1_545 4.3949(2) ? Al1 Al1 . 1_565 4.3949(2) ? Al1 Al1 . 1_655 4.3949(2) ? Al1 Al1 . 3_555 3.10766(10) ? Al1 Al1 . 3_565 3.10766(10) ? Al1 Al1 . 3_655 3.10766(10) ? Al1 Al1 . 3_665 3.10766(10) ? Al1 Al2 . . 2.6640(14) ? Al1 Al2 . 1_565 2.6640(14) ? Al1 Al2 . 17_454 4.629(2) ? Al1 Al2 . 17_554 4.629(2) ? Al1 Al2 . 5_556 4.629(2) ? Al1 Al2 . 5_566 4.629(2) ? Al1 Al2 . 21_455 2.6640(14) ? Al1 Al2 . 21_555 2.6640(14) ? Al2 Al2 . 1_455 4.3949(2) ? Al2 Al2 . 1_545 4.3949(2) ? Al2 Al2 . 1_565 4.3949(2) ? Al2 Al2 . 1_655 4.3949(2) ? Al2 Al2 . 5_556 2.568(4) ? Al2 Al2 . 21_445 4.328(2) ? Al2 Al2 . 21_455 4.328(2) ? Al2 Al2 . 21_545 4.328(2) ? Al2 Al2 . 21_555 4.328(2) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Eu1 Eu1 Eu1 1_455 . 1_545 90 ? Eu1 Eu1 Eu1 1_455 . 1_565 90 ? Eu1 Eu1 Eu1 1_455 . 1_655 180 ? Eu1 Eu1 Al1 1_455 . 1_545 90 ? Eu1 Eu1 Al1 1_455 . . 90 ? Eu1 Eu1 Al1 1_455 . 17_444 51.7772(10) ? Eu1 Eu1 Al1 1_455 . 17_544 128.2228(10) ? Eu1 Eu1 Al1 1_455 . 3_555 51.7772(10) ? Eu1 Eu1 Al1 1_455 . 3_655 128.2228(10) ? Eu1 Eu1 Al1 1_455 . 19_544 90 ? Eu1 Eu1 Al1 1_455 . 19_554 90 ? Eu1 Eu1 Al2 1_455 . . 90 ? Eu1 Eu1 Al2 1_455 . 17_444 49.193(14) ? Eu1 Eu1 Al2 1_455 . 17_454 49.193(14) ? Eu1 Eu1 Al2 1_455 . 17_544 130.807(14) ? Eu1 Eu1 Al2 1_455 . 17_554 130.807(14) ? Eu1 Eu1 Al2 1_455 . 5_555 90 ? Eu1 Eu1 Al2 1_455 . 21_445 49.193(14) ? Eu1 Eu1 Al2 1_455 . 21_455 49.193(14) ? Eu1 Eu1 Al2 1_455 . 21_545 130.807(14) ? Eu1 Eu1 Al2 1_455 . 21_555 130.807(14) ? Eu1 Eu1 Eu1 1_545 . 1_565 180 ? Eu1 Eu1 Eu1 1_545 . 1_655 90 ? Eu1 Eu1 Al1 1_545 . 1_545 51.7772(10) ? Eu1 Eu1 Al1 1_545 . . 128.2228(10) ? Eu1 Eu1 Al1 1_545 . 17_444 90 ? Eu1 Eu1 Al1 1_545 . 17_544 90 ? Eu1 Eu1 Al1 1_545 . 3_555 90 ? Eu1 Eu1 Al1 1_545 . 3_655 90 ? Eu1 Eu1 Al1 1_545 . 19_544 51.7772(10) ? Eu1 Eu1 Al1 1_545 . 19_554 128.2228(10) ? Eu1 Eu1 Al2 1_545 . . 90 ? Eu1 Eu1 Al2 1_545 . 17_444 49.193(14) ? Eu1 Eu1 Al2 1_545 . 17_454 130.807(14) ? Eu1 Eu1 Al2 1_545 . 17_544 49.193(14) ? Eu1 Eu1 Al2 1_545 . 17_554 130.807(14) ? Eu1 Eu1 Al2 1_545 . 5_555 90 ? Eu1 Eu1 Al2 1_545 . 21_445 49.193(14) ? Eu1 Eu1 Al2 1_545 . 21_455 130.807(14) ? Eu1 Eu1 Al2 1_545 . 21_545 49.193(14) ? Eu1 Eu1 Al2 1_545 . 21_555 130.807(14) ? Eu1 Eu1 Eu1 1_565 . 1_655 90 ? Eu1 Eu1 Al1 1_565 . 1_545 128.2228(10) ? Eu1 Eu1 Al1 1_565 . . 51.7772(10) ? Eu1 Eu1 Al1 1_565 . 17_444 90 ? Eu1 Eu1 Al1 1_565 . 17_544 90 ? Eu1 Eu1 Al1 1_565 . 3_555 90 ? Eu1 Eu1 Al1 1_565 . 3_655 90 ? Eu1 Eu1 Al1 1_565 . 19_544 128.2228(10) ? Eu1 Eu1 Al1 1_565 . 19_554 51.7772(10) ? Eu1 Eu1 Al2 1_565 . . 90 ? Eu1 Eu1 Al2 1_565 . 17_444 130.807(14) ? Eu1 Eu1 Al2 1_565 . 17_454 49.193(14) ? Eu1 Eu1 Al2 1_565 . 17_544 130.807(14) ? Eu1 Eu1 Al2 1_565 . 17_554 49.193(14) ? Eu1 Eu1 Al2 1_565 . 5_555 90 ? Eu1 Eu1 Al2 1_565 . 21_445 130.807(14) ? Eu1 Eu1 Al2 1_565 . 21_455 49.193(14) ? Eu1 Eu1 Al2 1_565 . 21_545 130.807(14) ? Eu1 Eu1 Al2 1_565 . 21_555 49.193(14) ? Eu1 Eu1 Al1 1_655 . 1_545 90 ? Eu1 Eu1 Al1 1_655 . . 90 ? Eu1 Eu1 Al1 1_655 . 17_444 128.2228(10) ? Eu1 Eu1 Al1 1_655 . 17_544 51.7772(10) ? Eu1 Eu1 Al1 1_655 . 3_555 128.2228(10) ? Eu1 Eu1 Al1 1_655 . 3_655 51.7772(10) ? Eu1 Eu1 Al1 1_655 . 19_544 90 ? Eu1 Eu1 Al1 1_655 . 19_554 90 ? Eu1 Eu1 Al2 1_655 . . 90 ? Eu1 Eu1 Al2 1_655 . 17_444 130.807(14) ? Eu1 Eu1 Al2 1_655 . 17_454 130.807(14) ? Eu1 Eu1 Al2 1_655 . 17_544 49.193(14) ? Eu1 Eu1 Al2 1_655 . 17_554 49.193(14) ? Eu1 Eu1 Al2 1_655 . 5_555 90 ? Eu1 Eu1 Al2 1_655 . 21_445 130.807(14) ? Eu1 Eu1 Al2 1_655 . 21_455 130.807(14) ? Eu1 Eu1 Al2 1_655 . 21_545 49.193(14) ? Eu1 Eu1 Al2 1_655 . 21_555 49.193(14) ? Al1 Eu1 Al1 1_545 . . 76.446(2) ? Al1 Eu1 Al1 1_545 . 17_444 128.1108(11) ? Al1 Eu1 Al1 1_545 . 17_544 128.1108(11) ? Al1 Eu1 Al1 1_545 . 3_555 51.8892(11) ? Al1 Eu1 Al1 1_545 . 3_655 51.8892(11) ? Al1 Eu1 Al1 1_545 . 19_544 103.554(2) ? Al1 Eu1 Al1 1_545 . 19_554 180 ? Al1 Eu1 Al2 1_545 . . 38.2228(10) ? Al1 Eu1 Al2 1_545 . 17_444 84.01(4) ? Al1 Eu1 Al2 1_545 . 17_454 134.78(3) ? Al1 Eu1 Al2 1_545 . 17_544 84.01(4) ? Al1 Eu1 Al2 1_545 . 17_554 134.78(3) ? Al1 Eu1 Al2 1_545 . 5_555 141.7772(10) ? Al1 Eu1 Al2 1_545 . 21_445 45.22(3) ? Al1 Eu1 Al2 1_545 . 21_455 95.99(4) ? Al1 Eu1 Al2 1_545 . 21_545 45.22(3) ? Al1 Eu1 Al2 1_545 . 21_555 95.99(4) ? Al1 Eu1 Al1 . . 17_444 128.1108(11) ? Al1 Eu1 Al1 . . 17_544 128.1108(11) ? Al1 Eu1 Al1 . . 3_555 51.8892(11) ? Al1 Eu1 Al1 . . 3_655 51.8892(11) ? Al1 Eu1 Al1 . . 19_544 180 ? Al1 Eu1 Al1 . . 19_554 103.554(2) ? Al1 Eu1 Al2 . . . 38.2228(10) ? Al1 Eu1 Al2 . . 17_444 134.78(3) ? Al1 Eu1 Al2 . . 17_454 84.01(4) ? Al1 Eu1 Al2 . . 17_544 134.78(3) ? Al1 Eu1 Al2 . . 17_554 84.01(4) ? Al1 Eu1 Al2 . . 5_555 141.7772(10) ? Al1 Eu1 Al2 . . 21_445 95.99(4) ? Al1 Eu1 Al2 . . 21_455 45.22(3) ? Al1 Eu1 Al2 . . 21_545 95.99(4) ? Al1 Eu1 Al2 . . 21_555 45.22(3) ? Al1 Eu1 Al1 17_444 . 17_544 76.446(2) ? Al1 Eu1 Al1 17_444 . 3_555 103.554(2) ? Al1 Eu1 Al1 17_444 . 3_655 180 ? Al1 Eu1 Al1 17_444 . 19_544 51.8892(11) ? Al1 Eu1 Al1 17_444 . 19_554 51.8892(11) ? Al1 Eu1 Al2 17_444 . . 141.7772(10) ? Al1 Eu1 Al2 17_444 . 17_444 45.22(3) ? Al1 Eu1 Al2 17_444 . 17_454 45.22(3) ? Al1 Eu1 Al2 17_444 . 17_544 95.99(4) ? Al1 Eu1 Al2 17_444 . 17_554 95.99(4) ? Al1 Eu1 Al2 17_444 . 5_555 38.2228(10) ? Al1 Eu1 Al2 17_444 . 21_445 84.01(4) ? Al1 Eu1 Al2 17_444 . 21_455 84.01(4) ? Al1 Eu1 Al2 17_444 . 21_545 134.78(3) ? Al1 Eu1 Al2 17_444 . 21_555 134.78(3) ? Al1 Eu1 Al1 17_544 . 3_555 180 ? Al1 Eu1 Al1 17_544 . 3_655 103.554(2) ? Al1 Eu1 Al1 17_544 . 19_544 51.8892(11) ? Al1 Eu1 Al1 17_544 . 19_554 51.8892(11) ? Al1 Eu1 Al2 17_544 . . 141.7772(10) ? Al1 Eu1 Al2 17_544 . 17_444 95.99(4) ? Al1 Eu1 Al2 17_544 . 17_454 95.99(4) ? Al1 Eu1 Al2 17_544 . 17_544 45.22(3) ? Al1 Eu1 Al2 17_544 . 17_554 45.22(3) ? Al1 Eu1 Al2 17_544 . 5_555 38.2228(10) ? Al1 Eu1 Al2 17_544 . 21_445 134.78(3) ? Al1 Eu1 Al2 17_544 . 21_455 134.78(3) ? Al1 Eu1 Al2 17_544 . 21_545 84.01(4) ? Al1 Eu1 Al2 17_544 . 21_555 84.01(4) ? Al1 Eu1 Al1 3_555 . 3_655 76.446(2) ? Al1 Eu1 Al1 3_555 . 19_544 128.1108(11) ? Al1 Eu1 Al1 3_555 . 19_554 128.1108(11) ? Al1 Eu1 Al2 3_555 . . 38.2228(10) ? Al1 Eu1 Al2 3_555 . 17_444 84.01(4) ? Al1 Eu1 Al2 3_555 . 17_454 84.01(4) ? Al1 Eu1 Al2 3_555 . 17_544 134.78(3) ? Al1 Eu1 Al2 3_555 . 17_554 134.78(3) ? Al1 Eu1 Al2 3_555 . 5_555 141.7772(10) ? Al1 Eu1 Al2 3_555 . 21_445 45.22(3) ? Al1 Eu1 Al2 3_555 . 21_455 45.22(3) ? Al1 Eu1 Al2 3_555 . 21_545 95.99(4) ? Al1 Eu1 Al2 3_555 . 21_555 95.99(4) ? Al1 Eu1 Al1 3_655 . 19_544 128.1108(11) ? Al1 Eu1 Al1 3_655 . 19_554 128.1108(11) ? Al1 Eu1 Al2 3_655 . . 38.2228(10) ? Al1 Eu1 Al2 3_655 . 17_444 134.78(3) ? Al1 Eu1 Al2 3_655 . 17_454 134.78(3) ? Al1 Eu1 Al2 3_655 . 17_544 84.01(4) ? Al1 Eu1 Al2 3_655 . 17_554 84.01(4) ? Al1 Eu1 Al2 3_655 . 5_555 141.7772(10) ? Al1 Eu1 Al2 3_655 . 21_445 95.99(4) ? Al1 Eu1 Al2 3_655 . 21_455 95.99(4) ? Al1 Eu1 Al2 3_655 . 21_545 45.22(3) ? Al1 Eu1 Al2 3_655 . 21_555 45.22(3) ? Al1 Eu1 Al1 19_544 . 19_554 76.446(2) ? Al1 Eu1 Al2 19_544 . . 141.7772(10) ? Al1 Eu1 Al2 19_544 . 17_444 45.22(3) ? Al1 Eu1 Al2 19_544 . 17_454 95.99(4) ? Al1 Eu1 Al2 19_544 . 17_544 45.22(3) ? Al1 Eu1 Al2 19_544 . 17_554 95.99(4) ? Al1 Eu1 Al2 19_544 . 5_555 38.2228(10) ? Al1 Eu1 Al2 19_544 . 21_445 84.01(4) ? Al1 Eu1 Al2 19_544 . 21_455 134.78(3) ? Al1 Eu1 Al2 19_544 . 21_545 84.01(4) ? Al1 Eu1 Al2 19_544 . 21_555 134.78(3) ? Al1 Eu1 Al2 19_554 . . 141.7772(10) ? Al1 Eu1 Al2 19_554 . 17_444 95.99(4) ? Al1 Eu1 Al2 19_554 . 17_454 45.22(3) ? Al1 Eu1 Al2 19_554 . 17_544 95.99(4) ? Al1 Eu1 Al2 19_554 . 17_554 45.22(3) ? Al1 Eu1 Al2 19_554 . 5_555 38.2228(10) ? Al1 Eu1 Al2 19_554 . 21_445 134.78(3) ? Al1 Eu1 Al2 19_554 . 21_455 84.01(4) ? Al1 Eu1 Al2 19_554 . 21_545 134.78(3) ? Al1 Eu1 Al2 19_554 . 21_555 84.01(4) ? Al2 Eu1 Al2 . . 17_444 112.45(4) ? Al2 Eu1 Al2 . . 17_454 112.45(4) ? Al2 Eu1 Al2 . . 17_544 112.45(4) ? Al2 Eu1 Al2 . . 17_554 112.45(4) ? Al2 Eu1 Al2 . . 5_555 180 ? Al2 Eu1 Al2 . . 21_445 67.55(4) ? Al2 Eu1 Al2 . . 21_455 67.55(4) ? Al2 Eu1 Al2 . . 21_545 67.55(4) ? Al2 Eu1 Al2 . . 21_555 67.55(4) ? Al2 Eu1 Al2 17_444 . 17_454 81.61(2) ? Al2 Eu1 Al2 17_444 . 17_544 81.61(2) ? Al2 Eu1 Al2 17_444 . 17_554 135.10(6) ? Al2 Eu1 Al2 17_444 . 5_555 67.55(4) ? Al2 Eu1 Al2 17_444 . 21_445 44.90(6) ? Al2 Eu1 Al2 17_444 . 21_455 98.39(2) ? Al2 Eu1 Al2 17_444 . 21_545 98.39(2) ? Al2 Eu1 Al2 17_444 . 21_555 180 ? Al2 Eu1 Al2 17_454 . 17_544 135.10(6) ? Al2 Eu1 Al2 17_454 . 17_554 81.61(2) ? Al2 Eu1 Al2 17_454 . 5_555 67.55(4) ? Al2 Eu1 Al2 17_454 . 21_445 98.39(2) ? Al2 Eu1 Al2 17_454 . 21_455 44.90(6) ? Al2 Eu1 Al2 17_454 . 21_545 180 ? Al2 Eu1 Al2 17_454 . 21_555 98.39(2) ? Al2 Eu1 Al2 17_544 . 17_554 81.61(2) ? Al2 Eu1 Al2 17_544 . 5_555 67.55(4) ? Al2 Eu1 Al2 17_544 . 21_445 98.39(2) ? Al2 Eu1 Al2 17_544 . 21_455 180 ? Al2 Eu1 Al2 17_544 . 21_545 44.90(6) ? Al2 Eu1 Al2 17_544 . 21_555 98.39(2) ? Al2 Eu1 Al2 17_554 . 5_555 67.55(4) ? Al2 Eu1 Al2 17_554 . 21_445 180 ? Al2 Eu1 Al2 17_554 . 21_455 98.39(2) ? Al2 Eu1 Al2 17_554 . 21_545 98.39(2) ? Al2 Eu1 Al2 17_554 . 21_555 44.90(6) ? Al2 Eu1 Al2 5_555 . 21_445 112.45(4) ? Al2 Eu1 Al2 5_555 . 21_455 112.45(4) ? Al2 Eu1 Al2 5_555 . 21_545 112.45(4) ? Al2 Eu1 Al2 5_555 . 21_555 112.45(4) ? Al2 Eu1 Al2 21_445 . 21_455 81.61(2) ? Al2 Eu1 Al2 21_445 . 21_545 81.61(2) ? Al2 Eu1 Al2 21_445 . 21_555 135.10(6) ? Al2 Eu1 Al2 21_455 . 21_545 135.10(6) ? Al2 Eu1 Al2 21_455 . 21_555 81.61(2) ? Al2 Eu1 Al2 21_545 . 21_555 81.61(2) ? Eu1 Al1 Eu1 . . 1_565 76.446(2) ? Eu1 Al1 Eu1 . . 17_455 128.1108(11) ? Eu1 Al1 Eu1 . . 17_555 128.1108(11) ? Eu1 Al1 Al1 . . 1_455 90 ? Eu1 Al1 Al1 . . 1_545 51.7772(10) ? Eu1 Al1 Al1 . . 1_565 128.2228(10) ? Eu1 Al1 Al1 . . 1_655 90 ? Eu1 Al1 Al1 . . 3_555 64.0554(9) ? Eu1 Al1 Al1 . . 3_565 115.9446(9) ? Eu1 Al1 Al1 . . 3_655 64.0554(9) ? Eu1 Al1 Al1 . . 3_665 115.9446(9) ? Eu1 Al1 Al2 . . . 86.20(4) ? Eu1 Al1 Al2 . . 1_565 162.65(4) ? Eu1 Al1 Al2 . . 17_454 46.255(8) ? Eu1 Al1 Al2 . . 17_554 46.255(8) ? Eu1 Al1 Al2 . . 5_556 113.437(15) ? Eu1 Al1 Al2 . . 5_566 170.117(15) ? Eu1 Al1 Al2 . . 21_455 63.63(3) ? Eu1 Al1 Al2 . . 21_555 63.63(3) ? Eu1 Al1 Eu1 1_565 . 17_455 128.1108(11) ? Eu1 Al1 Eu1 1_565 . 17_555 128.1108(11) ? Eu1 Al1 Al1 1_565 . 1_455 90 ? Eu1 Al1 Al1 1_565 . 1_545 128.2228(10) ? Eu1 Al1 Al1 1_565 . 1_565 51.7772(10) ? Eu1 Al1 Al1 1_565 . 1_655 90 ? Eu1 Al1 Al1 1_565 . 3_555 115.9446(9) ? Eu1 Al1 Al1 1_565 . 3_565 64.0554(9) ? Eu1 Al1 Al1 1_565 . 3_655 115.9446(9) ? Eu1 Al1 Al1 1_565 . 3_665 64.0554(9) ? Eu1 Al1 Al2 1_565 . . 162.65(4) ? Eu1 Al1 Al2 1_565 . 1_565 86.20(4) ? Eu1 Al1 Al2 1_565 . 17_454 46.255(8) ? Eu1 Al1 Al2 1_565 . 17_554 46.255(8) ? Eu1 Al1 Al2 1_565 . 5_556 170.117(15) ? Eu1 Al1 Al2 1_565 . 5_566 113.437(15) ? Eu1 Al1 Al2 1_565 . 21_455 63.63(3) ? Eu1 Al1 Al2 1_565 . 21_555 63.63(3) ? Eu1 Al1 Eu1 17_455 . 17_555 76.446(2) ? Eu1 Al1 Al1 17_455 . 1_455 51.7772(10) ? Eu1 Al1 Al1 17_455 . 1_545 90 ? Eu1 Al1 Al1 17_455 . 1_565 90 ? Eu1 Al1 Al1 17_455 . 1_655 128.2228(10) ? Eu1 Al1 Al1 17_455 . 3_555 64.0554(9) ? Eu1 Al1 Al1 17_455 . 3_565 64.0554(9) ? Eu1 Al1 Al1 17_455 . 3_655 115.9446(9) ? Eu1 Al1 Al1 17_455 . 3_665 115.9446(9) ? Eu1 Al1 Al2 17_455 . . 63.63(3) ? Eu1 Al1 Al2 17_455 . 1_565 63.63(3) ? Eu1 Al1 Al2 17_455 . 17_454 113.437(15) ? Eu1 Al1 Al2 17_455 . 17_554 170.117(15) ? Eu1 Al1 Al2 17_455 . 5_556 46.255(8) ? Eu1 Al1 Al2 17_455 . 5_566 46.255(8) ? Eu1 Al1 Al2 17_455 . 21_455 86.20(4) ? Eu1 Al1 Al2 17_455 . 21_555 162.65(4) ? Eu1 Al1 Al1 17_555 . 1_455 128.2228(10) ? Eu1 Al1 Al1 17_555 . 1_545 90 ? Eu1 Al1 Al1 17_555 . 1_565 90 ? Eu1 Al1 Al1 17_555 . 1_655 51.7772(10) ? Eu1 Al1 Al1 17_555 . 3_555 115.9446(9) ? Eu1 Al1 Al1 17_555 . 3_565 115.9446(9) ? Eu1 Al1 Al1 17_555 . 3_655 64.0554(9) ? Eu1 Al1 Al1 17_555 . 3_665 64.0554(9) ? Eu1 Al1 Al2 17_555 . . 63.63(3) ? Eu1 Al1 Al2 17_555 . 1_565 63.63(3) ? Eu1 Al1 Al2 17_555 . 17_454 170.117(15) ? Eu1 Al1 Al2 17_555 . 17_554 113.437(15) ? Eu1 Al1 Al2 17_555 . 5_556 46.255(8) ? Eu1 Al1 Al2 17_555 . 5_566 46.255(8) ? Eu1 Al1 Al2 17_555 . 21_455 162.65(4) ? Eu1 Al1 Al2 17_555 . 21_555 86.20(4) ? Al1 Al1 Al1 1_455 . 1_545 90 ? Al1 Al1 Al1 1_455 . 1_565 90 ? Al1 Al1 Al1 1_455 . 1_655 180 ? Al1 Al1 Al1 1_455 . 3_555 45.0000(9) ? Al1 Al1 Al1 1_455 . 3_565 45.0000(9) ? Al1 Al1 Al1 1_455 . 3_655 135.0000(9) ? Al1 Al1 Al1 1_455 . 3_665 135.0000(9) ? Al1 Al1 Al2 1_455 . . 90 ? Al1 Al1 Al2 1_455 . 1_565 90 ? Al1 Al1 Al2 1_455 . 17_454 61.660(15) ? Al1 Al1 Al2 1_455 . 17_554 118.340(15) ? Al1 Al1 Al2 1_455 . 5_556 90 ? Al1 Al1 Al2 1_455 . 5_566 90 ? Al1 Al1 Al2 1_455 . 21_455 34.43(4) ? Al1 Al1 Al2 1_455 . 21_555 145.57(4) ? Al1 Al1 Al1 1_545 . 1_565 180 ? Al1 Al1 Al1 1_545 . 1_655 90 ? Al1 Al1 Al1 1_545 . 3_555 45.0000(9) ? Al1 Al1 Al1 1_545 . 3_565 135.0000(9) ? Al1 Al1 Al1 1_545 . 3_655 45.0000(9) ? Al1 Al1 Al1 1_545 . 3_665 135.0000(9) ? Al1 Al1 Al2 1_545 . . 34.43(4) ? Al1 Al1 Al2 1_545 . 1_565 145.57(4) ? Al1 Al1 Al2 1_545 . 17_454 90 ? Al1 Al1 Al2 1_545 . 17_554 90 ? Al1 Al1 Al2 1_545 . 5_556 61.660(15) ? Al1 Al1 Al2 1_545 . 5_566 118.340(15) ? Al1 Al1 Al2 1_545 . 21_455 90 ? Al1 Al1 Al2 1_545 . 21_555 90 ? Al1 Al1 Al1 1_565 . 1_655 90 ? Al1 Al1 Al1 1_565 . 3_555 135.0000(9) ? Al1 Al1 Al1 1_565 . 3_565 45.0000(9) ? Al1 Al1 Al1 1_565 . 3_655 135.0000(9) ? Al1 Al1 Al1 1_565 . 3_665 45.0000(9) ? Al1 Al1 Al2 1_565 . . 145.57(4) ? Al1 Al1 Al2 1_565 . 1_565 34.43(4) ? Al1 Al1 Al2 1_565 . 17_454 90 ? Al1 Al1 Al2 1_565 . 17_554 90 ? Al1 Al1 Al2 1_565 . 5_556 118.340(15) ? Al1 Al1 Al2 1_565 . 5_566 61.660(15) ? Al1 Al1 Al2 1_565 . 21_455 90 ? Al1 Al1 Al2 1_565 . 21_555 90 ? Al1 Al1 Al1 1_655 . 3_555 135.0000(9) ? Al1 Al1 Al1 1_655 . 3_565 135.0000(9) ? Al1 Al1 Al1 1_655 . 3_655 45.0000(9) ? Al1 Al1 Al1 1_655 . 3_665 45.0000(9) ? Al1 Al1 Al2 1_655 . . 90 ? Al1 Al1 Al2 1_655 . 1_565 90 ? Al1 Al1 Al2 1_655 . 17_454 118.340(15) ? Al1 Al1 Al2 1_655 . 17_554 61.660(15) ? Al1 Al1 Al2 1_655 . 5_556 90 ? Al1 Al1 Al2 1_655 . 5_566 90 ? Al1 Al1 Al2 1_655 . 21_455 145.57(4) ? Al1 Al1 Al2 1_655 . 21_555 34.43(4) ? Al1 Al1 Al1 3_555 . 3_565 90.0000(18) ? Al1 Al1 Al1 3_555 . 3_655 90.0000(18) ? Al1 Al1 Al1 3_555 . 3_665 180 ? Al1 Al1 Al2 3_555 . . 54.32(2) ? Al1 Al1 Al2 3_555 . 1_565 125.68(2) ? Al1 Al1 Al2 3_555 . 17_454 70.387(10) ? Al1 Al1 Al2 3_555 . 17_554 109.613(10) ? Al1 Al1 Al2 3_555 . 5_556 70.387(10) ? Al1 Al1 Al2 3_555 . 5_566 109.613(10) ? Al1 Al1 Al2 3_555 . 21_455 54.32(2) ? Al1 Al1 Al2 3_555 . 21_555 125.68(2) ? Al1 Al1 Al1 3_565 . 3_655 180 ? Al1 Al1 Al1 3_565 . 3_665 90.0000(18) ? Al1 Al1 Al2 3_565 . . 125.68(2) ? Al1 Al1 Al2 3_565 . 1_565 54.32(2) ? Al1 Al1 Al2 3_565 . 17_454 70.387(10) ? Al1 Al1 Al2 3_565 . 17_554 109.613(10) ? Al1 Al1 Al2 3_565 . 5_556 109.613(10) ? Al1 Al1 Al2 3_565 . 5_566 70.387(10) ? Al1 Al1 Al2 3_565 . 21_455 54.32(2) ? Al1 Al1 Al2 3_565 . 21_555 125.68(2) ? Al1 Al1 Al1 3_655 . 3_665 90.0000(18) ? Al1 Al1 Al2 3_655 . . 54.32(2) ? Al1 Al1 Al2 3_655 . 1_565 125.68(2) ? Al1 Al1 Al2 3_655 . 17_454 109.613(10) ? Al1 Al1 Al2 3_655 . 17_554 70.387(10) ? Al1 Al1 Al2 3_655 . 5_556 70.387(10) ? Al1 Al1 Al2 3_655 . 5_566 109.613(10) ? Al1 Al1 Al2 3_655 . 21_455 125.68(2) ? Al1 Al1 Al2 3_655 . 21_555 54.32(2) ? Al1 Al1 Al2 3_665 . . 125.68(2) ? Al1 Al1 Al2 3_665 . 1_565 54.32(2) ? Al1 Al1 Al2 3_665 . 17_454 109.613(10) ? Al1 Al1 Al2 3_665 . 17_554 70.387(10) ? Al1 Al1 Al2 3_665 . 5_556 109.613(10) ? Al1 Al1 Al2 3_665 . 5_566 70.387(10) ? Al1 Al1 Al2 3_665 . 21_455 125.68(2) ? Al1 Al1 Al2 3_665 . 21_555 54.32(2) ? Al2 Al1 Al2 . . 1_565 111.15(6) ? Al2 Al1 Al2 . . 17_454 119.84(4) ? Al2 Al1 Al2 . . 17_554 119.84(4) ? Al2 Al1 Al2 . . 5_556 27.23(5) ? Al2 Al1 Al2 . . 5_566 83.91(5) ? Al2 Al1 Al2 . . 21_455 108.64(3) ? Al2 Al1 Al2 . . 21_555 108.64(3) ? Al2 Al1 Al2 1_565 . 17_454 119.84(4) ? Al2 Al1 Al2 1_565 . 17_554 119.84(4) ? Al2 Al1 Al2 1_565 . 5_556 83.91(5) ? Al2 Al1 Al2 1_565 . 5_566 27.23(5) ? Al2 Al1 Al2 1_565 . 21_455 108.64(3) ? Al2 Al1 Al2 1_565 . 21_555 108.64(3) ? Al2 Al1 Al2 17_454 . 17_554 56.68(2) ? Al2 Al1 Al2 17_454 . 5_556 140.774(14) ? Al2 Al1 Al2 17_454 . 5_566 140.774(14) ? Al2 Al1 Al2 17_454 . 21_455 27.23(5) ? Al2 Al1 Al2 17_454 . 21_555 83.91(5) ? Al2 Al1 Al2 17_554 . 5_556 140.774(14) ? Al2 Al1 Al2 17_554 . 5_566 140.774(14) ? Al2 Al1 Al2 17_554 . 21_455 83.91(5) ? Al2 Al1 Al2 17_554 . 21_555 27.23(5) ? Al2 Al1 Al2 5_556 . 5_566 56.68(2) ? Al2 Al1 Al2 5_556 . 21_455 119.84(4) ? Al2 Al1 Al2 5_556 . 21_555 119.84(4) ? Al2 Al1 Al2 5_566 . 21_455 119.84(4) ? Al2 Al1 Al2 5_566 . 21_555 119.84(4) ? Al2 Al1 Al2 21_455 . 21_555 111.15(6) ? Eu1 Al2 Eu1 . . 17_445 112.45(4) ? Eu1 Al2 Eu1 . . 17_455 112.45(4) ? Eu1 Al2 Eu1 . . 17_545 112.45(4) ? Eu1 Al2 Eu1 . . 17_555 112.45(4) ? Eu1 Al2 Al1 . . 1_545 55.57(4) ? Eu1 Al2 Al1 . . . 55.57(4) ? Eu1 Al2 Al1 . . 17_445 151.660(15) ? Eu1 Al2 Al1 . . 17_545 151.660(15) ? Eu1 Al2 Al1 . . 3_555 55.57(4) ? Eu1 Al2 Al1 . . 3_655 55.57(4) ? Eu1 Al2 Al1 . . 19_545 151.660(15) ? Eu1 Al2 Al1 . . 19_555 151.660(15) ? Eu1 Al2 Al2 . . 1_455 90.00(5) ? Eu1 Al2 Al2 . . 1_545 90.00(5) ? Eu1 Al2 Al2 . . 1_565 90.00(5) ? Eu1 Al2 Al2 . . 1_655 90.00(5) ? Eu1 Al2 Al2 . . 5_556 180 ? Eu1 Al2 Al2 . . 21_445 45.89(3) ? Eu1 Al2 Al2 . . 21_455 45.89(3) ? Eu1 Al2 Al2 . . 21_545 45.89(3) ? Eu1 Al2 Al2 . . 21_555 45.89(3) ? Eu1 Al2 Eu1 17_445 . 17_455 81.61(3) ? Eu1 Al2 Eu1 17_445 . 17_545 81.61(3) ? Eu1 Al2 Eu1 17_445 . 17_555 135.10(8) ? Eu1 Al2 Al1 17_445 . 1_545 71.1457(18) ? Eu1 Al2 Al1 17_445 . . 139.02(2) ? Eu1 Al2 Al1 17_445 . 17_445 49.73(3) ? Eu1 Al2 Al1 17_445 . 17_545 88.52(5) ? Eu1 Al2 Al1 17_445 . 3_555 71.1457(18) ? Eu1 Al2 Al1 17_445 . 3_655 139.02(2) ? Eu1 Al2 Al1 17_445 . 19_545 49.73(3) ? Eu1 Al2 Al1 17_445 . 19_555 88.52(5) ? Eu1 Al2 Al2 17_445 . 1_455 49.193(17) ? Eu1 Al2 Al2 17_445 . 1_545 49.193(17) ? Eu1 Al2 Al2 17_445 . 1_565 130.81(3) ? Eu1 Al2 Al2 17_445 . 1_655 130.81(3) ? Eu1 Al2 Al2 17_445 . 5_556 67.55(4) ? Eu1 Al2 Al2 17_445 . 21_445 66.56(3) ? Eu1 Al2 Al2 17_445 . 21_455 105.41(2) ? Eu1 Al2 Al2 17_445 . 21_545 105.41(2) ? Eu1 Al2 Al2 17_445 . 21_555 158.35(7) ? Eu1 Al2 Eu1 17_455 . 17_545 135.10(8) ? Eu1 Al2 Eu1 17_455 . 17_555 81.61(3) ? Eu1 Al2 Al1 17_455 . 1_545 139.02(2) ? Eu1 Al2 Al1 17_455 . . 71.1457(18) ? Eu1 Al2 Al1 17_455 . 17_445 49.73(3) ? Eu1 Al2 Al1 17_455 . 17_545 88.52(5) ? Eu1 Al2 Al1 17_455 . 3_555 71.1457(18) ? Eu1 Al2 Al1 17_455 . 3_655 139.02(2) ? Eu1 Al2 Al1 17_455 . 19_545 88.52(5) ? Eu1 Al2 Al1 17_455 . 19_555 49.73(3) ? Eu1 Al2 Al2 17_455 . 1_455 49.193(17) ? Eu1 Al2 Al2 17_455 . 1_545 130.81(3) ? Eu1 Al2 Al2 17_455 . 1_565 49.193(17) ? Eu1 Al2 Al2 17_455 . 1_655 130.81(3) ? Eu1 Al2 Al2 17_455 . 5_556 67.55(4) ? Eu1 Al2 Al2 17_455 . 21_445 105.41(2) ? Eu1 Al2 Al2 17_455 . 21_455 66.56(3) ? Eu1 Al2 Al2 17_455 . 21_545 158.35(7) ? Eu1 Al2 Al2 17_455 . 21_555 105.41(2) ? Eu1 Al2 Eu1 17_545 . 17_555 81.61(3) ? Eu1 Al2 Al1 17_545 . 1_545 71.1457(18) ? Eu1 Al2 Al1 17_545 . . 139.02(2) ? Eu1 Al2 Al1 17_545 . 17_445 88.52(5) ? Eu1 Al2 Al1 17_545 . 17_545 49.73(3) ? Eu1 Al2 Al1 17_545 . 3_555 139.02(2) ? Eu1 Al2 Al1 17_545 . 3_655 71.1457(18) ? Eu1 Al2 Al1 17_545 . 19_545 49.73(3) ? Eu1 Al2 Al1 17_545 . 19_555 88.52(5) ? Eu1 Al2 Al2 17_545 . 1_455 130.81(3) ? Eu1 Al2 Al2 17_545 . 1_545 49.193(17) ? Eu1 Al2 Al2 17_545 . 1_565 130.81(3) ? Eu1 Al2 Al2 17_545 . 1_655 49.193(17) ? Eu1 Al2 Al2 17_545 . 5_556 67.55(4) ? Eu1 Al2 Al2 17_545 . 21_445 105.41(2) ? Eu1 Al2 Al2 17_545 . 21_455 158.35(7) ? Eu1 Al2 Al2 17_545 . 21_545 66.56(3) ? Eu1 Al2 Al2 17_545 . 21_555 105.41(2) ? Eu1 Al2 Al1 17_555 . 1_545 139.02(2) ? Eu1 Al2 Al1 17_555 . . 71.1457(18) ? Eu1 Al2 Al1 17_555 . 17_445 88.52(5) ? Eu1 Al2 Al1 17_555 . 17_545 49.73(3) ? Eu1 Al2 Al1 17_555 . 3_555 139.02(2) ? Eu1 Al2 Al1 17_555 . 3_655 71.1457(18) ? Eu1 Al2 Al1 17_555 . 19_545 88.52(5) ? Eu1 Al2 Al1 17_555 . 19_555 49.73(3) ? Eu1 Al2 Al2 17_555 . 1_455 130.81(3) ? Eu1 Al2 Al2 17_555 . 1_545 130.81(3) ? Eu1 Al2 Al2 17_555 . 1_565 49.193(17) ? Eu1 Al2 Al2 17_555 . 1_655 49.193(17) ? Eu1 Al2 Al2 17_555 . 5_556 67.55(4) ? Eu1 Al2 Al2 17_555 . 21_445 158.35(7) ? Eu1 Al2 Al2 17_555 . 21_455 105.41(2) ? Eu1 Al2 Al2 17_555 . 21_545 105.41(2) ? Eu1 Al2 Al2 17_555 . 21_555 66.56(3) ? Al1 Al2 Al1 1_545 . . 111.15(9) ? Al1 Al2 Al1 1_545 . 17_445 119.84(3) ? Al1 Al2 Al1 1_545 . 17_545 119.84(3) ? Al1 Al2 Al1 1_545 . 3_555 71.36(4) ? Al1 Al2 Al1 1_545 . 3_655 71.36(4) ? Al1 Al2 Al1 1_545 . 19_545 96.09(3) ? Al1 Al2 Al1 1_545 . 19_555 152.77(6) ? Al1 Al2 Al2 1_545 . 1_455 90.00(3) ? Al1 Al2 Al2 1_545 . 1_545 34.43(3) ? Al1 Al2 Al2 1_545 . 1_565 145.57(8) ? Al1 Al2 Al2 1_545 . 1_655 90.00(3) ? Al1 Al2 Al2 1_545 . 5_556 124.43(4) ? Al1 Al2 Al2 1_545 . 21_445 35.68(2) ? Al1 Al2 Al2 1_545 . 21_455 91.45(6) ? Al1 Al2 Al2 1_545 . 21_545 35.68(2) ? Al1 Al2 Al2 1_545 . 21_555 91.45(6) ? Al1 Al2 Al1 . . 17_445 119.84(3) ? Al1 Al2 Al1 . . 17_545 119.84(3) ? Al1 Al2 Al1 . . 3_555 71.36(4) ? Al1 Al2 Al1 . . 3_655 71.36(4) ? Al1 Al2 Al1 . . 19_545 152.77(6) ? Al1 Al2 Al1 . . 19_555 96.09(3) ? Al1 Al2 Al2 . . 1_455 90.00(3) ? Al1 Al2 Al2 . . 1_545 145.57(8) ? Al1 Al2 Al2 . . 1_565 34.43(3) ? Al1 Al2 Al2 . . 1_655 90.00(3) ? Al1 Al2 Al2 . . 5_556 124.43(4) ? Al1 Al2 Al2 . . 21_445 91.45(6) ? Al1 Al2 Al2 . . 21_455 35.68(2) ? Al1 Al2 Al2 . . 21_545 91.45(6) ? Al1 Al2 Al2 . . 21_555 35.68(2) ? Al1 Al2 Al1 17_445 . 17_545 56.68(3) ? Al1 Al2 Al1 17_445 . 3_555 96.09(3) ? Al1 Al2 Al1 17_445 . 3_655 152.77(6) ? Al1 Al2 Al1 17_445 . 19_545 39.23(2) ? Al1 Al2 Al1 17_445 . 19_555 39.23(2) ? Al1 Al2 Al2 17_445 . 1_455 61.66(4) ? Al1 Al2 Al2 17_445 . 1_545 90.00(4) ? Al1 Al2 Al2 17_445 . 1_565 90.00(4) ? Al1 Al2 Al2 17_445 . 1_655 118.34(6) ? Al1 Al2 Al2 17_445 . 5_556 28.340(15) ? Al1 Al2 Al2 17_445 . 21_445 111.81(2) ? Al1 Al2 Al2 17_445 . 21_455 111.81(2) ? Al1 Al2 Al2 17_445 . 21_545 148.60(3) ? Al1 Al2 Al2 17_445 . 21_555 148.60(3) ? Al1 Al2 Al1 17_545 . 3_555 152.77(6) ? Al1 Al2 Al1 17_545 . 3_655 96.09(3) ? Al1 Al2 Al1 17_545 . 19_545 39.23(2) ? Al1 Al2 Al1 17_545 . 19_555 39.23(2) ? Al1 Al2 Al2 17_545 . 1_455 118.34(6) ? Al1 Al2 Al2 17_545 . 1_545 90.00(4) ? Al1 Al2 Al2 17_545 . 1_565 90.00(4) ? Al1 Al2 Al2 17_545 . 1_655 61.66(4) ? Al1 Al2 Al2 17_545 . 5_556 28.340(15) ? Al1 Al2 Al2 17_545 . 21_445 148.60(3) ? Al1 Al2 Al2 17_545 . 21_455 148.60(3) ? Al1 Al2 Al2 17_545 . 21_545 111.81(2) ? Al1 Al2 Al2 17_545 . 21_555 111.81(2) ? Al1 Al2 Al1 3_555 . 3_655 111.15(9) ? Al1 Al2 Al1 3_555 . 19_545 119.84(3) ? Al1 Al2 Al1 3_555 . 19_555 119.84(3) ? Al1 Al2 Al2 3_555 . 1_455 34.43(3) ? Al1 Al2 Al2 3_555 . 1_545 90.00(3) ? Al1 Al2 Al2 3_555 . 1_565 90.00(3) ? Al1 Al2 Al2 3_555 . 1_655 145.57(8) ? Al1 Al2 Al2 3_555 . 5_556 124.43(4) ? Al1 Al2 Al2 3_555 . 21_445 35.68(2) ? Al1 Al2 Al2 3_555 . 21_455 35.68(2) ? Al1 Al2 Al2 3_555 . 21_545 91.45(6) ? Al1 Al2 Al2 3_555 . 21_555 91.45(6) ? Al1 Al2 Al1 3_655 . 19_545 119.84(3) ? Al1 Al2 Al1 3_655 . 19_555 119.84(3) ? Al1 Al2 Al2 3_655 . 1_455 145.57(8) ? Al1 Al2 Al2 3_655 . 1_545 90.00(3) ? Al1 Al2 Al2 3_655 . 1_565 90.00(3) ? Al1 Al2 Al2 3_655 . 1_655 34.43(3) ? Al1 Al2 Al2 3_655 . 5_556 124.43(4) ? Al1 Al2 Al2 3_655 . 21_445 91.45(6) ? Al1 Al2 Al2 3_655 . 21_455 91.45(6) ? Al1 Al2 Al2 3_655 . 21_545 35.68(2) ? Al1 Al2 Al2 3_655 . 21_555 35.68(2) ? Al1 Al2 Al1 19_545 . 19_555 56.68(3) ? Al1 Al2 Al2 19_545 . 1_455 90.00(4) ? Al1 Al2 Al2 19_545 . 1_545 61.66(4) ? Al1 Al2 Al2 19_545 . 1_565 118.34(6) ? Al1 Al2 Al2 19_545 . 1_655 90.00(4) ? Al1 Al2 Al2 19_545 . 5_556 28.340(15) ? Al1 Al2 Al2 19_545 . 21_445 111.81(2) ? Al1 Al2 Al2 19_545 . 21_455 148.60(3) ? Al1 Al2 Al2 19_545 . 21_545 111.81(2) ? Al1 Al2 Al2 19_545 . 21_555 148.60(3) ? Al1 Al2 Al2 19_555 . 1_455 90.00(4) ? Al1 Al2 Al2 19_555 . 1_545 118.34(6) ? Al1 Al2 Al2 19_555 . 1_565 61.66(4) ? Al1 Al2 Al2 19_555 . 1_655 90.00(4) ? Al1 Al2 Al2 19_555 . 5_556 28.340(15) ? Al1 Al2 Al2 19_555 . 21_445 148.60(3) ? Al1 Al2 Al2 19_555 . 21_455 111.81(2) ? Al1 Al2 Al2 19_555 . 21_545 148.60(3) ? Al1 Al2 Al2 19_555 . 21_555 111.81(2) ? Al2 Al2 Al2 1_455 . 1_545 90 ? Al2 Al2 Al2 1_455 . 1_565 90 ? Al2 Al2 Al2 1_455 . 1_655 180 ? Al2 Al2 Al2 1_455 . 5_556 90.00(5) ? Al2 Al2 Al2 1_455 . 21_445 59.49(3) ? Al2 Al2 Al2 1_455 . 21_455 59.49(3) ? Al2 Al2 Al2 1_455 . 21_545 120.51(5) ? Al2 Al2 Al2 1_455 . 21_555 120.51(5) ? Al2 Al2 Al2 1_545 . 1_565 180 ? Al2 Al2 Al2 1_545 . 1_655 90 ? Al2 Al2 Al2 1_545 . 5_556 90.00(5) ? Al2 Al2 Al2 1_545 . 21_445 59.49(3) ? Al2 Al2 Al2 1_545 . 21_455 120.51(5) ? Al2 Al2 Al2 1_545 . 21_545 59.49(3) ? Al2 Al2 Al2 1_545 . 21_555 120.51(5) ? Al2 Al2 Al2 1_565 . 1_655 90 ? Al2 Al2 Al2 1_565 . 5_556 90.00(5) ? Al2 Al2 Al2 1_565 . 21_445 120.51(5) ? Al2 Al2 Al2 1_565 . 21_455 59.49(3) ? Al2 Al2 Al2 1_565 . 21_545 120.51(5) ? Al2 Al2 Al2 1_565 . 21_555 59.49(3) ? Al2 Al2 Al2 1_655 . 5_556 90.00(5) ? Al2 Al2 Al2 1_655 . 21_445 120.51(5) ? Al2 Al2 Al2 1_655 . 21_455 120.51(5) ? Al2 Al2 Al2 1_655 . 21_545 59.49(3) ? Al2 Al2 Al2 1_655 . 21_555 59.49(3) ? Al2 Al2 Al2 5_556 . 21_445 134.11(3) ? Al2 Al2 Al2 5_556 . 21_455 134.11(3) ? Al2 Al2 Al2 5_556 . 21_545 134.11(3) ? Al2 Al2 Al2 5_556 . 21_555 134.11(3) ? Al2 Al2 Al2 21_445 . 21_455 61.03(3) ? Al2 Al2 Al2 21_445 . 21_545 61.03(3) ? Al2 Al2 Al2 21_445 . 21_555 91.79(6) ? Al2 Al2 Al2 21_455 . 21_545 91.79(6) ? Al2 Al2 Al2 21_455 . 21_555 61.03(3) ? Al2 Al2 Al2 21_545 . 21_555 61.03(3) ? #======================================================================= data_II #======================================================================= # 5. CHEMICAL DATA _chemical_name_common EuAl4 _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Al4 Eu1' _chemical_formula_weight 259.9 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_ssg_name 'Fmmm(00\g)s00' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3,x4+1/2 3 -x1,x2,-x3,-x4 4 x1,-x2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1,x2,-x3,-x4+1/2 7 x1,-x2,x3,x4 8 -x1,x2,x3,x4+1/2 9 x1,x2+1/2,x3+1/2,x4 10 -x1,-x2+1/2,x3+1/2,x4+1/2 11 -x1,x2+1/2,-x3+1/2,-x4 12 x1,-x2+1/2,-x3+1/2,-x4+1/2 13 -x1,-x2+1/2,-x3+1/2,-x4 14 x1,x2+1/2,-x3+1/2,-x4+1/2 15 x1,-x2+1/2,x3+1/2,x4 16 -x1,x2+1/2,x3+1/2,x4+1/2 17 x1+1/2,x2,x3+1/2,x4 18 -x1+1/2,-x2,x3+1/2,x4+1/2 19 -x1+1/2,x2,-x3+1/2,-x4 20 x1+1/2,-x2,-x3+1/2,-x4+1/2 21 -x1+1/2,-x2,-x3+1/2,-x4 22 x1+1/2,x2,-x3+1/2,-x4+1/2 23 x1+1/2,-x2,x3+1/2,x4 24 -x1+1/2,x2,x3+1/2,x4+1/2 25 x1+1/2,x2+1/2,x3,x4 26 -x1+1/2,-x2+1/2,x3,x4+1/2 27 -x1+1/2,x2+1/2,-x3,-x4 28 x1+1/2,-x2+1/2,-x3,-x4+1/2 29 -x1+1/2,-x2+1/2,-x3,-x4 30 x1+1/2,x2+1/2,-x3,-x4+1/2 31 x1+1/2,-x2+1/2,x3,x4 32 -x1+1/2,x2+1/2,x3,x4+1/2 _cell_length_a 6.1991(3) _cell_length_b 6.1987(4) _cell_length_c 11.1488(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 428.41(4) loop_ _twin_individual_id _twin_individual_mass_fraction_refined _twin_individual_twin_matrix_11 _twin_individual_twin_matrix_12 _twin_individual_twin_matrix_13 _twin_individual_twin_matrix_21 _twin_individual_twin_matrix_22 _twin_individual_twin_matrix_23 _twin_individual_twin_matrix_31 _twin_individual_twin_matrix_32 _twin_individual_twin_matrix_33 1 0.534(4) 1 0 0 0 1 0 0 0 1 2 0.466(4) 0 -1 0 1 0 0 0 0 1 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.000000 0.000000 0.174100 _cell_formula_units_Z 4 _cell_measurement_reflns_used 1000 _cell_measurement_theta_min 1.5 _cell_measurement_theta_max 22 _cell_measurement_temperature 20 _cell_special_details ? _exptl_crystal_density_diffrn 4.0294 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 460 _exptl_absorpt_coefficient_mu 5.91 _exptl_crystal_description irregular _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.02 _exptl_crystal_size_rad ? _exptl_crystal_colour Black _exptl_absorpt_correction_type 'empirical' _exptl_absorpt_process_details 'SADABS, Program for Empirical Absorption Correction of Area Detector Data, G. M. Sheldrick, 1996' _exptl_absorpt_correction_T_min 0.3192 _exptl_absorpt_correction_T_max 0.3676 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist ? ? ? ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 20 _diffrn_source 'synchrotron' _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type 'synchrotron' #_diffrn_radiation_source 'synchrotron' _diffrn_radiation_wavelength 0.5 _diffrn_radiation_monochromator 'Si111 and Si311' _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Huber four-circle diffractometer' _diffrn_detector 'Pilatus CdTe 1M' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method 'area detector with phi scans' _diffrn_measurement_specimen_support 'glass fiber' _diffrn_reflns_number 1398 _diffrn_reflns_theta_min 2.57 _diffrn_reflns_theta_max 21.99 _diffrn_reflns_theta_full 13.79 _diffrn_measured_fraction_theta_max 0.78 _diffrn_measured_fraction_theta_full 0.98 _diffrn_reflns_av_R_equivalents 0.0226 _diffrn_reflns_av_unetI/netI 0.0373 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_index_m_1_min -1 _diffrn_reflns_limit_index_m_1_max 1 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe x-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 498 _reflns_number_gt 439 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0242 _refine_ls_wR_factor_gt 0.0248 _refine_ls_R_factor_all 0.0255 _refine_ls_wR_factor_ref 0.0250 _refine_ls_goodness_of_fit_ref 0.88 _refine_ls_goodness_of_fit_gt 0.93 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 498 _refine_ls_number_parameters 18 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_max 1.58 _refine_diff_density_min -1.49 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 130(30) _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Al 0.0323 0.0251 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Eu -0.5035 2.0178 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group Eu1 Eu 0 0 0 Uani 0.0061(2) 4 1 d . . . Al1 Al 0.25 0.25 0.25 Uani 0.0074(10) 8 1 d . . . Al2 Al 0 0 0.38495(13) Uani 0.0061(8) 8 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Eu1 Eu 0.0000(4) 0.0124(5) 0.00587(17) 0 0 0 Al1 Al 0.0038(17) 0.011(2) 0.0074(6) 0 0 0 Al2 Al 0.0016(15) 0.011(2) 0.0058(6) 0 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _jana_atom_site_Fourier_wave_vector_q1_coeff 1 1 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Eu1x1 Eu1 x 1 Eu1y1 Eu1 y 1 Eu1z1 Eu1 z 1 Al1x1 Al1 x 1 Al1y1 Al1 y 1 Al1z1 Al1 z 1 Al2x1 Al2 x 1 Al2y1 Al2 y 1 Al2z1 Al2 z 1 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Eu1x1 0 -0.02349(10) Eu1y1 0 0 Eu1z1 0 0 Al1x1 0 -0.0225(4) Al1y1 -0.0118(5) 0 Al1z1 0 0 Al2x1 -0.0108(4) -0.0242(4) Al2y1 0 0 Al2z1 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_ssg_symmetry_1 _geom_bond_site_ssg_symmetry_2 _geom_bond_distance_av _geom_bond_distance_min _geom_bond_distance_max _geom_bond_publ_flag Eu1 Eu1 . 25_4455 4.3833(7) 4.3833(9) 4.3833(9) ? Eu1 Eu1 . 25_4555 4.3833(7) 4.3833(9) 4.3833(9) ? Eu1 Eu1 . 25_5455 4.3833(7) 4.3833(9) 4.3833(9) ? Eu1 Eu1 . 25_5555 4.3833(7) 4.3833(9) 4.3833(9) ? Eu1 Al1 . . 3.5455(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 9_5445 3.5465(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 17_4545 3.5455(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 25_4455 3.5465(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 5_5555 3.5455(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 13_5555 3.5465(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 21_5555 3.5455(11) 3.4971(13) 3.5955(13) ? Eu1 Al1 . 29_5555 3.5465(11) 3.4971(13) 3.5955(13) ? Eu1 Al2 . . 4.2927(15) 4.2918(15) 4.2937(15) ? Eu1 Al2 . 9_5445 3.3544(6) 3.3543(6) 3.3546(6) ? Eu1 Al2 . 9_5545 3.3544(6) 3.3543(6) 3.3546(6) ? Eu1 Al2 . 17_4545 3.355(2) 3.309(3) 3.400(3) ? Eu1 Al2 . 17_5545 3.354(2) 3.309(3) 3.400(3) ? Eu1 Al2 . 3_5555 4.2927(15) 4.2918(15) 4.2937(15) ? Eu1 Al2 . 11_5455 3.3544(6) 3.3543(6) 3.3546(6) ? Eu1 Al2 . 11_5555 3.3544(6) 3.3543(6) 3.3546(6) ? Eu1 Al2 . 19_4555 3.354(2) 3.309(3) 3.400(3) ? Eu1 Al2 . 19_5555 3.355(2) 3.309(3) 3.400(3) ? Al1 Al1 . 25_4455 4.383(2) 4.383(3) 4.383(3) ? Al1 Al1 . 25_4555 4.383(2) 4.383(3) 4.383(3) ? Al1 Al1 . 25_5455 4.383(2) 4.383(3) 4.383(3) ? Al1 Al1 . 25_5555 4.383(2) 4.383(3) 4.383(3) ? Al1 Al1 . 13_5555 3.101(2) 3.100(4) 3.103(4) ? Al1 Al1 . 13_6555 3.101(2) 3.100(4) 3.103(4) ? Al1 Al1 . 21_5555 3.098(2) 2.953(4) 3.246(4) ? Al1 Al1 . 21_5655 3.101(2) 2.953(4) 3.246(4) ? Al1 Al2 . . 2.660(2) 2.652(2) 2.669(2) ? Al1 Al2 . 9_5545 4.6230(17) 4.5960(18) 4.6498(18) ? Al1 Al2 . 17_5545 4.6224(17) 4.5960(18) 4.6498(18) ? Al1 Al2 . 25_5555 2.660(2) 2.652(2) 2.669(2) ? Al1 Al2 . 3_5565 4.6225(17) 4.5960(18) 4.6498(18) ? Al1 Al2 . 11_5555 2.660(2) 2.652(2) 2.669(2) ? Al1 Al2 . 19_5555 2.660(2) 2.652(2) 2.669(2) ? Al1 Al2 . 27_5565 4.6229(17) 4.5960(18) 4.6498(18) ? Al2 Al2 . 25_4455 4.383(2) 4.383(3) 4.383(3) ? Al2 Al2 . 25_4555 4.383(2) 4.383(3) 4.383(3) ? Al2 Al2 . 25_5455 4.383(2) 4.383(3) 4.383(3) ? Al2 Al2 . 25_5555 4.383(2) 4.383(3) 4.383(3) ? Al2 Al2 . 3_5565 2.566(2) 2.565(2) 2.567(2) ? Al2 Al2 . 11_5455 4.3216(15) 4.3198(15) 4.3234(15) ? Al2 Al2 . 11_5555 4.3216(15) 4.3198(15) 4.3234(15) ? Al2 Al2 . 19_4555 4.320(3) 4.195(3) 4.448(3) ? Al2 Al2 . 19_5555 4.322(3) 4.195(3) 4.448(3) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_ssg_symmetry_1 _geom_angle_site_ssg_symmetry_2 _geom_angle_site_ssg_symmetry_3 _geom_angle_av _geom_angle_min _geom_angle_max _geom_angle_publ_flag Eu1 Eu1 Eu1 25_4455 . 25_4555 89.996(11) 89.996(8) 89.996(8) ? Eu1 Eu1 Eu1 25_4455 . 25_5455 90.004(8) 90.004(8) 90.004(8) ? Eu1 Eu1 Eu1 25_4455 . 25_5555 180 180 180 ? Eu1 Eu1 Al1 25_4455 . . 128.16(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_4455 . 9_5445 90.00(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_4455 . 17_4545 89.99(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_4455 . 25_4455 51.82(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_4455 . 5_5555 51.84(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_4455 . 13_5555 90.00(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_4455 . 21_5555 90.01(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_4455 . 29_5555 128.18(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al2 25_4455 . . 89.99(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_4455 . 9_5445 49.20(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_4455 . 9_5545 130.79(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_4455 . 17_4545 49.202(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al2 25_4455 . 17_5545 130.796(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Al2 25_4455 . 3_5555 90.01(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_4455 . 11_5455 49.21(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_4455 . 11_5555 130.80(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_4455 . 19_4555 49.204(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al2 25_4455 . 19_5555 130.798(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Eu1 25_4555 . 25_5455 180 180 180 ? Eu1 Eu1 Eu1 25_4555 . 25_5555 90.004(8) 90.004(8) 90.004(8) ? Eu1 Eu1 Al1 25_4555 . . 90.01(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_4555 . 9_5445 128.18(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_4555 . 17_4545 51.84(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_4555 . 25_4455 90.00(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_4555 . 5_5555 89.99(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_4555 . 13_5555 51.82(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_4555 . 21_5555 128.16(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_4555 . 29_5555 90.00(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al2 25_4555 . . 89.99(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_4555 . 9_5445 130.79(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_4555 . 9_5545 49.20(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_4555 . 17_4545 49.202(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al2 25_4555 . 17_5545 130.796(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Al2 25_4555 . 3_5555 90.01(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_4555 . 11_5455 130.80(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_4555 . 11_5555 49.21(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_4555 . 19_4555 49.204(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al2 25_4555 . 19_5555 130.798(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Eu1 25_5455 . 25_5555 89.996(11) 89.996(8) 89.996(8) ? Eu1 Eu1 Al1 25_5455 . . 89.99(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_5455 . 9_5445 51.82(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_5455 . 17_4545 128.16(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_5455 . 25_4455 90.00(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_5455 . 5_5555 90.01(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_5455 . 13_5555 128.18(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_5455 . 21_5555 51.84(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_5455 . 29_5555 90.00(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al2 25_5455 . . 90.01(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_5455 . 9_5445 49.21(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_5455 . 9_5545 130.80(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_5455 . 17_4545 130.798(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Al2 25_5455 . 17_5545 49.204(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al2 25_5455 . 3_5555 89.99(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_5455 . 11_5455 49.20(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_5455 . 11_5555 130.79(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_5455 . 19_4555 130.796(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Al2 25_5455 . 19_5555 49.202(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al1 25_5555 . . 51.84(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al1 25_5555 . 9_5445 90.00(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_5555 . 17_4545 90.01(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_5555 . 25_4455 128.18(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_5555 . 5_5555 128.16(2) 127.15(2) 129.18(2) ? Eu1 Eu1 Al1 25_5555 . 13_5555 90.00(3) 89.62(3) 90.40(3) ? Eu1 Eu1 Al1 25_5555 . 21_5555 89.99(3) 89.60(3) 90.38(3) ? Eu1 Eu1 Al1 25_5555 . 29_5555 51.82(2) 50.82(2) 52.85(2) ? Eu1 Eu1 Al2 25_5555 . . 90.01(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_5555 . 9_5445 130.80(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_5555 . 9_5545 49.21(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_5555 . 17_4545 130.798(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Al2 25_5555 . 17_5545 49.204(12) 49.090(10) 49.318(11) ? Eu1 Eu1 Al2 25_5555 . 3_5555 89.99(2) 88.80(2) 91.20(2) ? Eu1 Eu1 Al2 25_5555 . 11_5455 130.79(4) 130.02(4) 131.57(4) ? Eu1 Eu1 Al2 25_5555 . 11_5555 49.20(4) 48.43(4) 49.98(4) ? Eu1 Eu1 Al2 25_5555 . 19_4555 130.796(11) 130.682(11) 130.910(10) ? Eu1 Eu1 Al2 25_5555 . 19_5555 49.202(12) 49.090(10) 49.318(11) ? Al1 Eu1 Al1 . . 9_5445 128.15(5) 127.98(6) 128.35(6) ? Al1 Eu1 Al1 . . 17_4545 128.20(3) 126.40(4) 129.99(4) ? Al1 Eu1 Al1 . . 25_4455 76.34(3) 76.33(3) 76.36(3) ? Al1 Eu1 Al1 . . 5_5555 179.63(2) 179.410(18) 180 ? Al1 Eu1 Al1 . . 13_5555 51.85(5) 51.84(6) 51.87(4) ? Al1 Eu1 Al1 . . 21_5555 51.80(3) 49.94(4) 53.67(4) ? Al1 Eu1 Al1 . . 29_5555 103.66(3) 103.09(3) 104.20(4) ? Al1 Eu1 Al2 . . . 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 . . 9_5445 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 . . 9_5545 84.09(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 . . 17_4545 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al2 . . 17_5545 84.09(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al2 . . 3_5555 141.81(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 . . 11_5455 95.91(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 . . 11_5555 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 . . 19_4555 95.91(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al2 . . 19_5555 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al1 9_5445 . 17_4545 76.34(3) 76.33(3) 76.36(3) ? Al1 Eu1 Al1 9_5445 . 25_4455 128.16(3) 126.40(4) 129.99(4) ? Al1 Eu1 Al1 9_5445 . 5_5555 51.85(5) 51.84(6) 51.87(4) ? Al1 Eu1 Al1 9_5445 . 13_5555 179.63(2) 179.410(18) 180 ? Al1 Eu1 Al1 9_5445 . 21_5555 103.66(3) 103.09(3) 104.20(4) ? Al1 Eu1 Al1 9_5445 . 29_5555 51.84(3) 49.94(4) 53.67(4) ? Al1 Eu1 Al2 9_5445 . . 141.82(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 9_5445 . 9_5445 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 9_5445 . 9_5545 95.94(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 9_5445 . 17_4545 95.93(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al2 9_5445 . 17_5545 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 9_5445 . 3_5555 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 9_5445 . 11_5455 84.07(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 9_5445 . 11_5555 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 9_5445 . 19_4555 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al2 9_5445 . 19_5555 84.07(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al1 17_4545 . 25_4455 128.15(5) 127.98(6) 128.35(6) ? Al1 Eu1 Al1 17_4545 . 5_5555 51.80(3) 49.94(4) 53.67(4) ? Al1 Eu1 Al1 17_4545 . 13_5555 103.66(3) 103.09(3) 104.20(4) ? Al1 Eu1 Al1 17_4545 . 21_5555 179.63(2) 179.410(18) 180 ? Al1 Eu1 Al1 17_4545 . 29_5555 51.85(5) 51.84(6) 51.87(4) ? Al1 Eu1 Al2 17_4545 . . 141.81(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 17_4545 . 9_5445 95.91(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 17_4545 . 9_5545 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 17_4545 . 17_4545 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 17_4545 . 17_5545 95.91(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al2 17_4545 . 3_5555 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 17_4545 . 11_5455 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 17_4545 . 11_5555 84.09(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 17_4545 . 19_4555 84.09(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al2 17_4545 . 19_5555 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al1 25_4455 . 5_5555 103.66(3) 103.09(3) 104.20(4) ? Al1 Eu1 Al1 25_4455 . 13_5555 51.84(3) 49.94(4) 53.67(4) ? Al1 Eu1 Al1 25_4455 . 21_5555 51.85(5) 51.84(6) 51.87(4) ? Al1 Eu1 Al1 25_4455 . 29_5555 179.63(2) 179.410(18) 180 ? Al1 Eu1 Al2 25_4455 . . 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 25_4455 . 9_5445 84.07(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 25_4455 . 9_5545 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 25_4455 . 17_4545 84.07(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al2 25_4455 . 17_5545 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al2 25_4455 . 3_5555 141.82(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 25_4455 . 11_5455 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 25_4455 . 11_5555 95.94(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 25_4455 . 19_4555 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 25_4455 . 19_5555 95.93(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al1 5_5555 . 13_5555 128.15(5) 127.98(6) 128.35(6) ? Al1 Eu1 Al1 5_5555 . 21_5555 128.20(3) 126.40(4) 129.99(4) ? Al1 Eu1 Al1 5_5555 . 29_5555 76.34(3) 76.33(4) 76.36(3) ? Al1 Eu1 Al2 5_5555 . . 141.81(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 5_5555 . 9_5445 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 5_5555 . 9_5545 95.91(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 5_5555 . 17_4545 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 5_5555 . 17_5545 95.91(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al2 5_5555 . 3_5555 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 5_5555 . 11_5455 84.09(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 5_5555 . 11_5555 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 5_5555 . 19_4555 84.09(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al2 5_5555 . 19_5555 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al1 13_5555 . 21_5555 76.34(3) 76.33(4) 76.36(3) ? Al1 Eu1 Al1 13_5555 . 29_5555 128.16(3) 126.40(4) 129.99(4) ? Al1 Eu1 Al2 13_5555 . . 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 13_5555 . 9_5445 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 13_5555 . 9_5545 84.07(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 13_5555 . 17_4545 84.07(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al2 13_5555 . 17_5545 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al2 13_5555 . 3_5555 141.82(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 13_5555 . 11_5455 95.94(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 13_5555 . 11_5555 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 13_5555 . 19_4555 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 13_5555 . 19_5555 95.93(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al1 21_5555 . 29_5555 128.15(5) 127.98(6) 128.35(6) ? Al1 Eu1 Al2 21_5555 . . 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 21_5555 . 9_5445 84.09(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 21_5555 . 9_5545 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 21_5555 . 17_4545 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al2 21_5555 . 17_5545 84.09(3) 83.32(3) 84.85(3) ? Al1 Eu1 Al2 21_5555 . 3_5555 141.81(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 21_5555 . 11_5455 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 21_5555 . 11_5555 95.91(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 21_5555 . 19_4555 95.91(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al2 21_5555 . 19_5555 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 29_5555 . . 141.82(3) 141.17(4) 142.46(4) ? Al1 Eu1 Al2 29_5555 . 9_5445 95.94(4) 94.53(5) 97.30(5) ? Al1 Eu1 Al2 29_5555 . 9_5545 45.23(4) 45.01(5) 45.49(5) ? Al1 Eu1 Al2 29_5555 . 17_4545 95.93(3) 95.12(3) 96.71(3) ? Al1 Eu1 Al2 29_5555 . 17_5545 45.22(3) 44.94(3) 45.52(3) ? Al1 Eu1 Al2 29_5555 . 3_5555 38.19(3) 38.00(3) 38.39(3) ? Al1 Eu1 Al2 29_5555 . 11_5455 134.77(4) 134.37(4) 135.17(4) ? Al1 Eu1 Al2 29_5555 . 11_5555 84.07(4) 82.73(5) 85.43(5) ? Al1 Eu1 Al2 29_5555 . 19_4555 134.78(3) 134.49(3) 135.06(3) ? Al1 Eu1 Al2 29_5555 . 19_5555 84.07(3) 83.32(3) 84.85(3) ? Al2 Eu1 Al2 . . 9_5445 112.46(2) 112.44(2) 112.48(2) ? Al2 Eu1 Al2 . . 9_5545 112.46(2) 112.44(2) 112.48(2) ? Al2 Eu1 Al2 . . 17_4545 112.46(4) 110.50(4) 114.47(4) ? Al2 Eu1 Al2 . . 17_5545 112.50(4) 110.50(4) 114.47(4) ? Al2 Eu1 Al2 . . 3_5555 179.40(4) 179.04(5) 180 ? Al2 Eu1 Al2 . . 11_5455 67.54(2) 67.52(2) 67.56(2) ? Al2 Eu1 Al2 . . 11_5555 67.54(2) 67.52(2) 67.56(2) ? Al2 Eu1 Al2 . . 19_4555 67.50(4) 65.50(4) 69.53(4) ? Al2 Eu1 Al2 . . 19_5555 67.54(4) 65.50(4) 69.53(4) ? Al2 Eu1 Al2 9_5445 . 9_5545 135.02(3) 135.01(3) 135.04(3) ? Al2 Eu1 Al2 9_5445 . 17_4545 81.58(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 9_5445 . 17_5545 81.60(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 9_5445 . 3_5555 67.54(2) 67.52(2) 67.56(2) ? Al2 Eu1 Al2 9_5445 . 11_5455 44.98(3) 44.96(3) 44.99(3) ? Al2 Eu1 Al2 9_5445 . 11_5555 179.76(5) 179.60(6) 180 ? Al2 Eu1 Al2 9_5445 . 19_4555 98.40(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 9_5445 . 19_5555 98.42(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 9_5545 . 17_4545 81.58(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 9_5545 . 17_5545 81.60(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 9_5545 . 3_5555 67.54(2) 67.52(2) 67.56(2) ? Al2 Eu1 Al2 9_5545 . 11_5455 179.76(5) 179.60(6) 180 ? Al2 Eu1 Al2 9_5545 . 11_5555 44.98(3) 44.96(3) 44.99(3) ? Al2 Eu1 Al2 9_5545 . 19_4555 98.40(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 9_5545 . 19_5555 98.42(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 17_4545 . 17_5545 135.04(4) 135.03(4) 135.04(4) ? Al2 Eu1 Al2 17_4545 . 3_5555 67.54(4) 65.50(4) 69.53(4) ? Al2 Eu1 Al2 17_4545 . 11_5455 98.42(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 17_4545 . 11_5555 98.42(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 17_4545 . 19_4555 44.96(4) 44.81(4) 45.11(4) ? Al2 Eu1 Al2 17_4545 . 19_5555 179.92(3) 179.85(4) 180 ? Al2 Eu1 Al2 17_5545 . 3_5555 67.50(4) 65.50(4) 69.53(4) ? Al2 Eu1 Al2 17_5545 . 11_5455 98.40(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 17_5545 . 11_5555 98.40(4) 97.73(4) 99.09(4) ? Al2 Eu1 Al2 17_5545 . 19_4555 179.92(3) 179.85(4) 180 ? Al2 Eu1 Al2 17_5545 . 19_5555 44.96(4) 44.81(4) 45.11(4) ? Al2 Eu1 Al2 3_5555 . 11_5455 112.46(2) 112.44(2) 112.48(2) ? Al2 Eu1 Al2 3_5555 . 11_5555 112.46(2) 112.44(2) 112.48(2) ? Al2 Eu1 Al2 3_5555 . 19_4555 112.50(4) 110.50(4) 114.47(4) ? Al2 Eu1 Al2 3_5555 . 19_5555 112.46(4) 110.50(4) 114.47(4) ? Al2 Eu1 Al2 11_5455 . 11_5555 135.02(3) 135.01(3) 135.04(3) ? Al2 Eu1 Al2 11_5455 . 19_4555 81.60(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 11_5455 . 19_5555 81.58(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 11_5555 . 19_4555 81.60(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 11_5555 . 19_5555 81.58(4) 80.92(4) 82.25(4) ? Al2 Eu1 Al2 19_4555 . 19_5555 135.04(4) 135.03(4) 135.04(4) ? Eu1 Al1 Eu1 . . 9_5555 128.15(4) 128.132(11) 128.18(8) ? Eu1 Al1 Eu1 . . 17_5555 128.20(4) 126.33(8) 130.06(8) ? Eu1 Al1 Eu1 . . 25_5555 76.342(7) 76.327(7) 76.358(8) ? Eu1 Al1 Al1 . . 25_4455 51.84(2) 50.82(2) 52.85(3) ? Eu1 Al1 Al1 . . 25_4555 89.99(3) 89.60(2) 90.38(2) ? Eu1 Al1 Al1 . . 25_5455 90.01(3) 89.62(5) 90.40(5) ? Eu1 Al1 Al1 . . 25_5555 128.16(2) 127.15(3) 129.18(2) ? Eu1 Al1 Al1 . . 13_5555 64.09(2) 62.433(17) 65.701(14) ? Eu1 Al1 Al1 . . 13_6555 115.89(3) 114.84(4) 116.83(3) ? Eu1 Al1 Al1 . . 21_5555 64.10(4) 63.17(5) 65.03(5) ? Eu1 Al1 Al1 . . 21_5655 115.90(4) 114.97(5) 116.83(5) ? Eu1 Al1 Al2 . . . 86.30(5) 85.41(6) 87.18(6) ? Eu1 Al1 Al2 . . 9_5545 46.192(13) 45.983(13) 46.396(12) ? Eu1 Al1 Al2 . . 17_5545 46.19(3) 45.80(3) 46.59(3) ? Eu1 Al1 Al2 . . 25_5555 162.52(5) 161.53(7) 163.28(5) ? Eu1 Al1 Al2 . . 3_5565 113.54(5) 111.92(5) 115.14(5) ? Eu1 Al1 Al2 . . 11_5555 63.58(3) 62.71(2) 64.42(2) ? Eu1 Al1 Al2 . . 19_5555 63.59(5) 61.81(6) 65.31(6) ? Eu1 Al1 Al2 . . 27_5565 170.12(4) 168.48(5) 171.69(5) ? Eu1 Al1 Eu1 9_5555 . 17_5555 76.342(7) 76.327(7) 76.358(8) ? Eu1 Al1 Eu1 9_5555 . 25_5555 128.16(4) 126.33(8) 130.06(8) ? Eu1 Al1 Al1 9_5555 . 25_4455 90.00(3) 89.60(2) 90.38(2) ? Eu1 Al1 Al1 9_5555 . 25_4555 51.82(2) 50.82(2) 52.85(3) ? Eu1 Al1 Al1 9_5555 . 25_5455 128.18(2) 127.15(3) 129.18(2) ? Eu1 Al1 Al1 9_5555 . 25_5555 90.00(3) 89.62(5) 90.40(5) ? Eu1 Al1 Al1 9_5555 . 13_5555 64.06(2) 62.432(17) 65.702(14) ? Eu1 Al1 Al1 9_5555 . 13_6555 115.87(3) 114.84(4) 116.83(3) ? Eu1 Al1 Al1 9_5555 . 21_5555 115.92(4) 114.97(5) 116.83(5) ? Eu1 Al1 Al1 9_5555 . 21_5655 64.08(4) 63.17(5) 65.03(5) ? Eu1 Al1 Al2 9_5555 . . 63.56(3) 62.71(2) 64.42(2) ? Eu1 Al1 Al2 9_5555 . 9_5545 113.51(5) 111.92(5) 115.14(5) ? Eu1 Al1 Al2 9_5555 . 17_5545 170.09(5) 168.48(5) 171.69(5) ? Eu1 Al1 Al2 9_5555 . 25_5555 63.56(5) 61.81(6) 65.31(6) ? Eu1 Al1 Al2 9_5555 . 3_5565 46.195(13) 45.983(13) 46.396(12) ? Eu1 Al1 Al2 9_5555 . 11_5555 86.28(5) 85.41(6) 87.17(6) ? Eu1 Al1 Al2 9_5555 . 19_5555 162.54(5) 161.53(7) 163.28(5) ? Eu1 Al1 Al2 9_5555 . 27_5565 46.20(3) 45.80(3) 46.59(3) ? Eu1 Al1 Eu1 17_5555 . 25_5555 128.15(4) 128.132(12) 128.18(8) ? Eu1 Al1 Al1 17_5555 . 25_4455 90.01(3) 89.62(5) 90.40(5) ? Eu1 Al1 Al1 17_5555 . 25_4555 128.16(2) 127.15(3) 129.18(2) ? Eu1 Al1 Al1 17_5555 . 25_5455 51.84(2) 50.82(2) 52.85(3) ? Eu1 Al1 Al1 17_5555 . 25_5555 89.99(3) 89.60(2) 90.38(2) ? Eu1 Al1 Al1 17_5555 . 13_5555 115.89(3) 114.84(4) 116.83(3) ? Eu1 Al1 Al1 17_5555 . 13_6555 64.09(2) 62.432(17) 65.702(14) ? Eu1 Al1 Al1 17_5555 . 21_5555 64.10(4) 63.17(5) 65.03(5) ? Eu1 Al1 Al1 17_5555 . 21_5655 115.90(4) 114.97(5) 116.83(5) ? Eu1 Al1 Al2 17_5555 . . 63.59(5) 61.81(6) 65.31(6) ? Eu1 Al1 Al2 17_5555 . 9_5545 170.12(4) 168.48(5) 171.69(5) ? Eu1 Al1 Al2 17_5555 . 17_5545 113.54(5) 111.92(5) 115.14(5) ? Eu1 Al1 Al2 17_5555 . 25_5555 63.58(3) 62.71(2) 64.42(2) ? Eu1 Al1 Al2 17_5555 . 3_5565 46.20(3) 45.80(3) 46.59(3) ? Eu1 Al1 Al2 17_5555 . 11_5555 162.52(5) 161.53(7) 163.28(5) ? Eu1 Al1 Al2 17_5555 . 19_5555 86.30(5) 85.41(6) 87.17(6) ? Eu1 Al1 Al2 17_5555 . 27_5565 46.192(13) 45.983(13) 46.396(12) ? Eu1 Al1 Al1 25_5555 . 25_4455 128.18(2) 127.15(3) 129.18(2) ? Eu1 Al1 Al1 25_5555 . 25_4555 90.00(3) 89.62(5) 90.40(5) ? Eu1 Al1 Al1 25_5555 . 25_5455 90.00(3) 89.60(2) 90.38(2) ? Eu1 Al1 Al1 25_5555 . 25_5555 51.82(2) 50.82(2) 52.85(3) ? Eu1 Al1 Al1 25_5555 . 13_5555 115.87(3) 114.84(4) 116.83(3) ? Eu1 Al1 Al1 25_5555 . 13_6555 64.06(2) 62.433(17) 65.701(14) ? Eu1 Al1 Al1 25_5555 . 21_5555 115.92(4) 114.97(5) 116.83(5) ? Eu1 Al1 Al1 25_5555 . 21_5655 64.08(4) 63.17(5) 65.03(5) ? Eu1 Al1 Al2 25_5555 . . 162.54(5) 161.53(7) 163.28(5) ? Eu1 Al1 Al2 25_5555 . 9_5545 46.20(3) 45.80(3) 46.59(3) ? Eu1 Al1 Al2 25_5555 . 17_5545 46.196(13) 45.983(13) 46.396(12) ? Eu1 Al1 Al2 25_5555 . 25_5555 86.28(5) 85.41(6) 87.18(6) ? Eu1 Al1 Al2 25_5555 . 3_5565 170.09(5) 168.48(5) 171.69(5) ? Eu1 Al1 Al2 25_5555 . 11_5555 63.56(5) 61.81(6) 65.31(6) ? Eu1 Al1 Al2 25_5555 . 19_5555 63.56(3) 62.71(2) 64.42(2) ? Eu1 Al1 Al2 25_5555 . 27_5565 113.51(5) 111.92(5) 115.14(5) ? Al1 Al1 Al1 25_4455 . 25_4555 90.00(4) 90.00(4) 90.00(4) ? Al1 Al1 Al1 25_4455 . 25_5455 90.00(5) 90.00(6) 90.00(6) ? Al1 Al1 Al1 25_4455 . 25_5555 180 180 180 ? Al1 Al1 Al1 25_4455 . 13_5555 45.02(3) 42.29(4) 47.71(4) ? Al1 Al1 Al1 25_4455 . 13_6555 135.03(5) 132.29(8) 137.71(8) ? Al1 Al1 Al1 25_4455 . 21_5555 45.00(6) 45.00(6) 45.00(6) ? Al1 Al1 Al1 25_4455 . 21_5655 135.00(7) 135.00(6) 135.00(6) ? Al1 Al1 Al2 25_4455 . . 34.51(4) 34.41(4) 34.68(4) ? Al1 Al1 Al2 25_4455 . 9_5545 90.00(3) 89.34(3) 90.65(3) ? Al1 Al1 Al2 25_4455 . 17_5545 90.01(3) 89.35(4) 90.66(4) ? Al1 Al1 Al2 25_4455 . 25_5555 145.49(4) 145.32(4) 145.59(4) ? Al1 Al1 Al2 25_4455 . 3_5565 61.71(3) 61.08(3) 62.32(3) ? Al1 Al1 Al2 25_4455 . 11_5555 90.02(6) 87.55(5) 92.46(5) ? Al1 Al1 Al2 25_4455 . 19_5555 90.02(6) 87.54(8) 92.45(8) ? Al1 Al1 Al2 25_4455 . 27_5565 118.31(3) 117.68(3) 118.92(3) ? Al1 Al1 Al1 25_4555 . 25_5455 180 180 180 ? Al1 Al1 Al1 25_4555 . 25_5555 90.00(5) 90.00(6) 90.00(6) ? Al1 Al1 Al1 25_4555 . 13_5555 44.97(3) 42.29(4) 47.71(4) ? Al1 Al1 Al1 25_4555 . 13_6555 134.98(5) 132.29(8) 137.71(8) ? Al1 Al1 Al1 25_4555 . 21_5555 135.00(7) 135.00(6) 135.00(6) ? Al1 Al1 Al1 25_4555 . 21_5655 45.00(6) 45.00(6) 45.00(5) ? Al1 Al1 Al2 25_4555 . . 89.98(6) 87.55(5) 92.46(5) ? Al1 Al1 Al2 25_4555 . 9_5545 61.69(3) 61.08(3) 62.32(3) ? Al1 Al1 Al2 25_4555 . 17_5545 118.29(3) 117.68(3) 118.92(3) ? Al1 Al1 Al2 25_4555 . 25_5555 89.98(6) 87.54(8) 92.45(8) ? Al1 Al1 Al2 25_4555 . 3_5565 89.99(3) 89.34(3) 90.65(3) ? Al1 Al1 Al2 25_4555 . 11_5555 34.51(4) 34.41(4) 34.68(4) ? Al1 Al1 Al2 25_4555 . 19_5555 145.49(4) 145.32(4) 145.59(4) ? Al1 Al1 Al2 25_4555 . 27_5565 90.00(3) 89.35(4) 90.66(4) ? Al1 Al1 Al1 25_5455 . 25_5555 90.00(4) 90.00(4) 90.00(4) ? Al1 Al1 Al1 25_5455 . 13_5555 135.03(5) 132.29(8) 137.71(8) ? Al1 Al1 Al1 25_5455 . 13_6555 45.02(3) 42.29(4) 47.71(4) ? Al1 Al1 Al1 25_5455 . 21_5555 45.00(6) 45.00(6) 45.00(6) ? Al1 Al1 Al1 25_5455 . 21_5655 135.00(7) 135.00(6) 135.00(6) ? Al1 Al1 Al2 25_5455 . . 90.02(6) 87.54(8) 92.45(8) ? Al1 Al1 Al2 25_5455 . 9_5545 118.31(3) 117.68(3) 118.92(3) ? Al1 Al1 Al2 25_5455 . 17_5545 61.71(3) 61.08(3) 62.32(3) ? Al1 Al1 Al2 25_5455 . 25_5555 90.02(6) 87.55(5) 92.46(5) ? Al1 Al1 Al2 25_5455 . 3_5565 90.01(3) 89.35(4) 90.66(4) ? Al1 Al1 Al2 25_5455 . 11_5555 145.49(4) 145.32(4) 145.59(4) ? Al1 Al1 Al2 25_5455 . 19_5555 34.51(4) 34.41(4) 34.68(4) ? Al1 Al1 Al2 25_5455 . 27_5565 90.00(3) 89.34(3) 90.65(3) ? Al1 Al1 Al1 25_5555 . 13_5555 134.98(5) 132.29(8) 137.71(8) ? Al1 Al1 Al1 25_5555 . 13_6555 44.97(3) 42.29(4) 47.71(4) ? Al1 Al1 Al1 25_5555 . 21_5555 135.00(7) 135.00(6) 135.00(6) ? Al1 Al1 Al1 25_5555 . 21_5655 45.00(6) 45.00(6) 45.00(5) ? Al1 Al1 Al2 25_5555 . . 145.49(4) 145.32(4) 145.59(4) ? Al1 Al1 Al2 25_5555 . 9_5545 90.00(3) 89.35(4) 90.66(4) ? Al1 Al1 Al2 25_5555 . 17_5545 89.99(3) 89.34(3) 90.65(3) ? Al1 Al1 Al2 25_5555 . 25_5555 34.51(4) 34.41(4) 34.68(4) ? Al1 Al1 Al2 25_5555 . 3_5565 118.29(3) 117.68(3) 118.92(3) ? Al1 Al1 Al2 25_5555 . 11_5555 89.98(6) 87.54(8) 92.45(8) ? Al1 Al1 Al2 25_5555 . 19_5555 89.98(6) 87.55(5) 92.46(5) ? Al1 Al1 Al2 25_5555 . 27_5565 61.69(3) 61.08(3) 62.32(3) ? Al1 Al1 Al1 13_5555 . 13_6555 176.53(6) 174.59(12) 179.88 ? Al1 Al1 Al1 13_5555 . 21_5555 90.03(7) 87.29(9) 92.71(9) ? Al1 Al1 Al1 13_5555 . 21_5655 89.97(7) 87.29(9) 92.71(9) ? Al1 Al1 Al2 13_5555 . . 54.33(6) 54.07(6) 54.59(6) ? Al1 Al1 Al2 13_5555 . 9_5545 70.39(4) 69.46(4) 71.33(4) ? Al1 Al1 Al2 13_5555 . 17_5545 109.57(4) 108.46(4) 110.61(4) ? Al1 Al1 Al2 13_5555 . 25_5555 125.58(7) 121.44(9) 129.72(8) ? Al1 Al1 Al2 13_5555 . 3_5565 70.41(4) 69.46(4) 71.33(4) ? Al1 Al1 Al2 13_5555 . 11_5555 54.34(6) 54.07(6) 54.59(6) ? Al1 Al1 Al2 13_5555 . 19_5555 125.66(7) 121.44(9) 129.72(8) ? Al1 Al1 Al2 13_5555 . 27_5565 109.55(4) 108.46(4) 110.61(4) ? Al1 Al1 Al1 13_6555 . 21_5555 90.03(7) 87.29(9) 92.71(9) ? Al1 Al1 Al1 13_6555 . 21_5655 89.97(7) 87.29(9) 92.71(9) ? Al1 Al1 Al2 13_6555 . . 125.66(7) 121.44(9) 129.72(8) ? Al1 Al1 Al2 13_6555 . 9_5545 109.55(4) 108.46(4) 110.61(4) ? Al1 Al1 Al2 13_6555 . 17_5545 70.41(4) 69.46(4) 71.33(4) ? Al1 Al1 Al2 13_6555 . 25_5555 54.34(6) 54.07(6) 54.59(6) ? Al1 Al1 Al2 13_6555 . 3_5565 109.57(4) 108.46(4) 110.61(4) ? Al1 Al1 Al2 13_6555 . 11_5555 125.58(7) 121.44(9) 129.72(8) ? Al1 Al1 Al2 13_6555 . 19_5555 54.33(6) 54.07(6) 54.59(6) ? Al1 Al1 Al2 13_6555 . 27_5565 70.39(4) 69.46(4) 71.33(4) ? Al1 Al1 Al1 21_5555 . 21_5655 180 180 180 ? Al1 Al1 Al2 21_5555 . . 54.36(5) 52.27(6) 56.42(6) ? Al1 Al1 Al2 21_5555 . 9_5545 109.59(3) 108.73(3) 110.44(3) ? Al1 Al1 Al2 21_5555 . 17_5545 70.42(3) 69.56(3) 71.27(3) ? Al1 Al1 Al2 21_5555 . 25_5555 125.68(6) 123.58(6) 127.73(6) ? Al1 Al1 Al2 21_5555 . 3_5565 70.42(3) 69.56(3) 71.27(3) ? Al1 Al1 Al2 21_5555 . 11_5555 125.68(6) 123.58(6) 127.73(6) ? Al1 Al1 Al2 21_5555 . 19_5555 54.36(5) 52.27(6) 56.42(6) ? Al1 Al1 Al2 21_5555 . 27_5565 109.59(3) 108.73(3) 110.44(3) ? Al1 Al1 Al2 21_5655 . . 125.64(6) 123.58(6) 127.73(6) ? Al1 Al1 Al2 21_5655 . 9_5545 70.41(3) 69.56(3) 71.27(3) ? Al1 Al1 Al2 21_5655 . 17_5545 109.58(3) 108.73(3) 110.44(3) ? Al1 Al1 Al2 21_5655 . 25_5555 54.32(5) 52.27(6) 56.42(6) ? Al1 Al1 Al2 21_5655 . 3_5565 109.58(3) 108.73(3) 110.44(3) ? Al1 Al1 Al2 21_5655 . 11_5555 54.32(5) 52.27(6) 56.42(6) ? Al1 Al1 Al2 21_5655 . 19_5555 125.64(6) 123.58(6) 127.73(6) ? Al1 Al1 Al2 21_5655 . 27_5565 70.41(3) 69.56(3) 71.27(3) ? Al2 Al1 Al2 . . 9_5545 119.85(7) 118.76(5) 120.92(5) ? Al2 Al1 Al2 . . 17_5545 119.89(5) 117.84(8) 121.86(8) ? Al2 Al1 Al2 . . 25_5555 110.98(5) 110.91(5) 111.06(5) ? Al2 Al1 Al2 . . 3_5565 27.26(4) 26.54(4) 28.02(4) ? Al2 Al1 Al2 . . 11_5555 108.67(8) 108.64(11) 108.72(11) ? Al2 Al1 Al2 . . 19_5555 108.73(7) 104.54(10) 112.85(11) ? Al2 Al1 Al2 . . 27_5565 83.83(4) 83.07(4) 84.56(4) ? Al2 Al1 Al2 9_5545 . 17_5545 56.60(3) 56.60(3) 56.60(3) ? Al2 Al1 Al2 9_5545 . 25_5555 119.85(5) 117.84(8) 121.86(8) ? Al2 Al1 Al2 9_5545 . 3_5565 140.80(5) 140.25(8) 141.40(8) ? Al2 Al1 Al2 9_5545 . 11_5555 27.25(4) 26.54(4) 28.02(4) ? Al2 Al1 Al2 9_5545 . 19_5555 83.83(4) 83.07(4) 84.56(4) ? Al2 Al1 Al2 9_5545 . 27_5565 140.81(4) 139.13(7) 142.54(7) ? Al2 Al1 Al2 17_5545 . 25_5555 119.87(7) 118.76(5) 120.92(5) ? Al2 Al1 Al2 17_5545 . 3_5565 140.84(4) 139.13(7) 142.54(7) ? Al2 Al1 Al2 17_5545 . 11_5555 83.81(4) 83.07(4) 84.56(4) ? Al2 Al1 Al2 17_5545 . 19_5555 27.26(4) 26.54(4) 28.02(4) ? Al2 Al1 Al2 17_5545 . 27_5565 140.81(5) 140.25(8) 141.40(8) ? Al2 Al1 Al2 25_5555 . 3_5565 83.81(4) 83.07(4) 84.56(4) ? Al2 Al1 Al2 25_5555 . 11_5555 108.65(7) 104.54(10) 112.85(11) ? Al2 Al1 Al2 25_5555 . 19_5555 108.67(8) 108.64(11) 108.72(11) ? Al2 Al1 Al2 25_5555 . 27_5565 27.25(4) 26.54(4) 28.02(4) ? Al2 Al1 Al2 3_5565 . 11_5555 119.87(7) 118.76(5) 120.92(5) ? Al2 Al1 Al2 3_5565 . 19_5555 119.89(5) 117.84(8) 121.86(8) ? Al2 Al1 Al2 3_5565 . 27_5565 56.60(3) 56.60(3) 56.60(3) ? Al2 Al1 Al2 11_5555 . 19_5555 110.98(5) 110.91(5) 111.06(5) ? Al2 Al1 Al2 11_5555 . 27_5565 119.85(5) 117.84(8) 121.86(8) ? Al2 Al1 Al2 19_5555 . 27_5565 119.85(7) 118.76(5) 120.92(5) ? Eu1 Al2 Eu1 . . 9_5455 112.46(2) 112.44(2) 112.48(2) ? Eu1 Al2 Eu1 . . 9_5555 112.46(2) 112.44(2) 112.48(2) ? Eu1 Al2 Eu1 . . 17_4555 112.50(5) 110.47(5) 114.50(5) ? Eu1 Al2 Eu1 . . 17_5555 112.46(5) 110.47(5) 114.50(5) ? Eu1 Al2 Al1 . . . 55.51(4) 54.44(4) 56.59(4) ? Eu1 Al2 Al1 . . 9_5455 151.68(5) 149.88(4) 153.51(4) ? Eu1 Al2 Al1 . . 17_4555 151.71(5) 149.88(4) 153.51(4) ? Eu1 Al2 Al1 . . 25_4455 55.53(4) 54.44(4) 56.59(4) ? Eu1 Al2 Al1 . . 5_5565 151.71(5) 149.88(4) 153.51(4) ? Eu1 Al2 Al1 . . 13_5555 55.53(4) 54.44(4) 56.59(4) ? Eu1 Al2 Al1 . . 21_5555 55.51(4) 54.44(4) 56.59(4) ? Eu1 Al2 Al1 . . 29_5565 151.68(5) 149.88(4) 153.51(4) ? Eu1 Al2 Al2 . . 25_4455 90.01(4) 88.80(3) 91.20(3) ? Eu1 Al2 Al2 . . 25_4555 90.01(4) 88.80(3) 91.20(3) ? Eu1 Al2 Al2 . . 25_5455 89.99(4) 88.80(3) 91.20(3) ? Eu1 Al2 Al2 . . 25_5555 89.99(4) 88.80(3) 91.20(3) ? Eu1 Al2 Al2 . . 3_5565 177.58(10) 176.21(10) 180 ? Eu1 Al2 Al2 . . 11_5455 45.83(2) 45.82(2) 45.85(2) ? Eu1 Al2 Al2 . . 11_5555 45.83(2) 45.82(2) 45.85(2) ? Eu1 Al2 Al2 . . 19_4555 45.82(3) 45.73(3) 45.89(3) ? Eu1 Al2 Al2 . . 19_5555 45.82(3) 45.73(3) 45.89(3) ? Eu1 Al2 Eu1 9_5455 . 9_5555 135.02(5) 135.01(5) 135.04(5) ? Eu1 Al2 Eu1 9_5455 . 17_4555 81.60(4) 80.92(3) 82.25(3) ? Eu1 Al2 Eu1 9_5455 . 17_5555 81.58(4) 80.92(3) 82.25(3) ? Eu1 Al2 Al1 9_5455 . . 139.00(8) 135.85(8) 142.21(8) ? Eu1 Al2 Al1 9_5455 . 9_5455 49.72(2) 48.58(2) 50.88(2) ? Eu1 Al2 Al1 9_5455 . 17_4555 88.45(3) 87.84(3) 89.08(3) ? Eu1 Al2 Al1 9_5455 . 25_4455 71.184(19) 70.096(18) 72.278(19) ? Eu1 Al2 Al1 9_5455 . 5_5565 49.74(2) 48.58(2) 50.88(2) ? Eu1 Al2 Al1 9_5455 . 13_5555 139.06(8) 135.85(8) 142.21(8) ? Eu1 Al2 Al1 9_5455 . 21_5555 71.205(19) 70.096(18) 72.278(19) ? Eu1 Al2 Al1 9_5455 . 29_5565 88.46(3) 87.84(3) 89.08(3) ? Eu1 Al2 Al2 9_5455 . 25_4455 49.21(3) 48.43(3) 49.98(3) ? Eu1 Al2 Al2 9_5455 . 25_4555 130.80(6) 130.02(6) 131.57(6) ? Eu1 Al2 Al2 9_5455 . 25_5455 49.20(3) 48.43(3) 49.98(3) ? Eu1 Al2 Al2 9_5455 . 25_5555 130.79(6) 130.02(6) 131.57(6) ? Eu1 Al2 Al2 9_5455 . 3_5565 67.51(2) 67.50(2) 67.52(2) ? Eu1 Al2 Al2 9_5455 . 11_5455 66.629(17) 66.622(17) 66.636(17) ? Eu1 Al2 Al2 9_5455 . 11_5555 158.21(4) 158.10(4) 158.33(4) ? Eu1 Al2 Al2 9_5455 . 19_4555 105.45(4) 104.36(4) 106.52(4) ? Eu1 Al2 Al2 9_5455 . 19_5555 105.43(4) 104.36(4) 106.52(4) ? Eu1 Al2 Eu1 9_5555 . 17_4555 81.60(4) 80.92(3) 82.25(3) ? Eu1 Al2 Eu1 9_5555 . 17_5555 81.58(4) 80.92(3) 82.25(3) ? Eu1 Al2 Al1 9_5555 . . 71.205(19) 70.096(18) 72.278(19) ? Eu1 Al2 Al1 9_5555 . 9_5455 88.46(3) 87.84(3) 89.08(3) ? Eu1 Al2 Al1 9_5555 . 17_4555 49.74(2) 48.58(2) 50.88(2) ? Eu1 Al2 Al1 9_5555 . 25_4455 139.06(8) 135.85(8) 142.21(8) ? Eu1 Al2 Al1 9_5555 . 5_5565 88.45(3) 87.84(3) 89.08(3) ? Eu1 Al2 Al1 9_5555 . 13_5555 71.184(19) 70.096(18) 72.278(19) ? Eu1 Al2 Al1 9_5555 . 21_5555 139.00(8) 135.85(8) 142.21(8) ? Eu1 Al2 Al1 9_5555 . 29_5565 49.72(2) 48.58(2) 50.88(2) ? Eu1 Al2 Al2 9_5555 . 25_4455 130.80(6) 130.02(6) 131.57(6) ? Eu1 Al2 Al2 9_5555 . 25_4555 49.21(3) 48.43(3) 49.98(3) ? Eu1 Al2 Al2 9_5555 . 25_5455 130.79(6) 130.02(6) 131.57(6) ? Eu1 Al2 Al2 9_5555 . 25_5555 49.20(3) 48.43(3) 49.98(3) ? Eu1 Al2 Al2 9_5555 . 3_5565 67.51(2) 67.50(2) 67.52(2) ? Eu1 Al2 Al2 9_5555 . 11_5455 158.21(4) 158.10(4) 158.33(4) ? Eu1 Al2 Al2 9_5555 . 11_5555 66.629(17) 66.622(17) 66.636(17) ? Eu1 Al2 Al2 9_5555 . 19_4555 105.45(4) 104.36(4) 106.52(4) ? Eu1 Al2 Al2 9_5555 . 19_5555 105.43(4) 104.36(4) 106.52(4) ? Eu1 Al2 Eu1 17_4555 . 17_5555 135.04(5) 135.03(5) 135.04(5) ? Eu1 Al2 Al1 17_4555 . . 139.05(6) 136.42(6) 141.63(6) ? Eu1 Al2 Al1 17_4555 . 9_5455 88.46(4) 88.21(4) 88.72(4) ? Eu1 Al2 Al1 17_4555 . 17_4555 49.72(4) 49.23(4) 50.22(4) ? Eu1 Al2 Al1 17_4555 . 25_4455 71.23(7) 69.17(6) 73.25(7) ? Eu1 Al2 Al1 17_4555 . 5_5565 49.72(4) 49.23(4) 50.22(4) ? Eu1 Al2 Al1 17_4555 . 13_5555 71.23(7) 69.17(6) 73.25(7) ? Eu1 Al2 Al1 17_4555 . 21_5555 139.05(6) 136.42(6) 141.63(6) ? Eu1 Al2 Al1 17_4555 . 29_5565 88.46(4) 88.21(4) 88.72(4) ? Eu1 Al2 Al2 17_4555 . 25_4455 49.20(3) 49.09(3) 49.32(3) ? Eu1 Al2 Al2 17_4555 . 25_4555 49.20(3) 49.09(3) 49.32(3) ? Eu1 Al2 Al2 17_4555 . 25_5455 130.80(3) 130.68(3) 130.91(3) ? Eu1 Al2 Al2 17_4555 . 25_5555 130.80(3) 130.68(3) 130.91(3) ? Eu1 Al2 Al2 17_4555 . 3_5565 67.53(7) 65.71(7) 69.32(7) ? Eu1 Al2 Al2 17_4555 . 11_5455 105.47(5) 102.99(5) 107.90(5) ? Eu1 Al2 Al2 17_4555 . 11_5555 105.47(5) 102.99(5) 107.90(5) ? Eu1 Al2 Al2 17_4555 . 19_4555 66.68(5) 64.74(4) 68.63(5) ? Eu1 Al2 Al2 17_4555 . 19_5555 158.32(6) 156.34(6) 160.23(6) ? Eu1 Al2 Al1 17_5555 . . 71.19(7) 69.17(6) 73.25(7) ? Eu1 Al2 Al1 17_5555 . 9_5455 49.73(4) 49.23(4) 50.22(4) ? Eu1 Al2 Al1 17_5555 . 17_4555 88.46(4) 88.21(4) 88.72(4) ? Eu1 Al2 Al1 17_5555 . 25_4455 139.00(6) 136.42(6) 141.63(6) ? Eu1 Al2 Al1 17_5555 . 5_5565 88.46(4) 88.21(4) 88.72(4) ? Eu1 Al2 Al1 17_5555 . 13_5555 139.00(6) 136.42(6) 141.63(6) ? Eu1 Al2 Al1 17_5555 . 21_5555 71.19(7) 69.17(6) 73.25(7) ? Eu1 Al2 Al1 17_5555 . 29_5565 49.73(4) 49.23(4) 50.22(4) ? Eu1 Al2 Al2 17_5555 . 25_4455 130.80(3) 130.68(3) 130.91(3) ? Eu1 Al2 Al2 17_5555 . 25_4555 130.80(3) 130.68(3) 130.91(3) ? Eu1 Al2 Al2 17_5555 . 25_5455 49.20(3) 49.09(3) 49.32(3) ? Eu1 Al2 Al2 17_5555 . 25_5555 49.20(3) 49.09(3) 49.32(3) ? Eu1 Al2 Al2 17_5555 . 3_5565 67.50(7) 65.71(7) 69.32(7) ? Eu1 Al2 Al2 17_5555 . 11_5455 105.42(5) 102.99(5) 107.90(5) ? Eu1 Al2 Al2 17_5555 . 11_5555 105.42(5) 102.99(5) 107.90(5) ? Eu1 Al2 Al2 17_5555 . 19_4555 158.29(6) 156.34(6) 160.23(6) ? Eu1 Al2 Al2 17_5555 . 19_5555 66.64(5) 64.74(4) 68.63(5) ? Al1 Al2 Al1 . . 9_5455 119.85(8) 118.54(7) 121.16(7) ? Al1 Al2 Al1 . . 17_4555 119.88(4) 117.96(5) 121.74(5) ? Al1 Al2 Al1 . . 25_4455 110.98(6) 110.91(6) 111.06(6) ? Al1 Al2 Al1 . . 5_5565 152.73(6) 151.97(6) 153.46(6) ? Al1 Al2 Al1 . . 13_5555 71.33(6) 71.32(7) 71.34(6) ? Al1 Al2 Al1 . . 21_5555 71.27(6) 67.16(7) 75.46(7) ? Al1 Al2 Al1 . . 29_5565 96.17(5) 95.44(5) 96.93(5) ? Al1 Al2 Al2 . . 25_4455 145.49(6) 145.32(6) 145.59(6) ? Al1 Al2 Al2 . . 25_4555 90.02(5) 87.54(5) 92.45(5) ? Al1 Al2 Al2 . . 25_5455 89.98(7) 87.55(7) 92.46(7) ? Al1 Al2 Al2 . . 25_5555 34.51(4) 34.41(3) 34.68(4) ? Al1 Al2 Al2 . . 3_5565 124.39(8) 122.73(8) 125.97(7) ? Al1 Al2 Al2 . . 11_5455 91.32(5) 88.81(6) 93.80(6) ? Al1 Al2 Al2 . . 11_5555 35.66(5) 35.53(5) 35.80(4) ? Al1 Al2 Al2 . . 19_4555 91.34(5) 91.26(4) 91.40(6) ? Al1 Al2 Al2 . . 19_5555 35.64(4) 33.58(6) 37.73(5) ? Al1 Al2 Al1 9_5455 . 17_4555 56.60(3) 56.60(4) 56.60(3) ? Al1 Al2 Al1 9_5455 . 25_4455 119.85(3) 117.96(4) 121.74(4) ? Al1 Al2 Al1 9_5455 . 5_5565 39.20(4) 39.18(5) 39.21(3) ? Al1 Al2 Al1 9_5455 . 13_5555 152.74(6) 151.97(6) 153.46(6) ? Al1 Al2 Al1 9_5455 . 21_5555 96.17(5) 95.44(5) 96.93(5) ? Al1 Al2 Al1 9_5455 . 29_5565 39.18(2) 37.46(4) 40.87(4) ? Al1 Al2 Al2 9_5455 . 25_4455 90.00(4) 89.35(4) 90.66(4) ? Al1 Al2 Al2 9_5455 . 25_4555 118.31(4) 117.68(4) 118.92(4) ? Al1 Al2 Al2 9_5455 . 25_5455 61.69(3) 61.08(3) 62.32(3) ? Al1 Al2 Al2 9_5455 . 25_5555 90.00(5) 89.34(5) 90.65(5) ? Al1 Al2 Al2 9_5455 . 3_5565 28.33(5) 27.49(5) 29.25(5) ? Al1 Al2 Al2 9_5455 . 11_5455 111.87(3) 110.26(4) 113.50(4) ? Al1 Al2 Al2 9_5455 . 11_5555 148.58(5) 147.47(5) 149.67(4) ? Al1 Al2 Al2 9_5455 . 19_4555 148.64(5) 147.55(5) 149.71(5) ? Al1 Al2 Al2 9_5455 . 19_5555 111.89(6) 110.13(5) 113.74(5) ? Al1 Al2 Al1 17_4555 . 25_4455 119.88(8) 118.54(8) 121.16(8) ? Al1 Al2 Al1 17_4555 . 5_5565 39.16(2) 37.46(4) 40.87(4) ? Al1 Al2 Al1 17_4555 . 13_5555 96.18(5) 95.44(5) 96.93(5) ? Al1 Al2 Al1 17_4555 . 21_5555 152.73(6) 151.97(6) 153.46(6) ? Al1 Al2 Al1 17_4555 . 29_5565 39.20(4) 39.18(5) 39.21(3) ? Al1 Al2 Al2 17_4555 . 25_4455 89.99(5) 89.34(5) 90.65(5) ? Al1 Al2 Al2 17_4555 . 25_4555 61.71(3) 61.08(3) 62.32(3) ? Al1 Al2 Al2 17_4555 . 25_5455 118.29(4) 117.68(4) 118.92(4) ? Al1 Al2 Al2 17_4555 . 25_5555 90.01(4) 89.35(4) 90.66(4) ? Al1 Al2 Al2 17_4555 . 3_5565 28.34(5) 27.49(5) 29.25(5) ? Al1 Al2 Al2 17_4555 . 11_5455 148.60(5) 147.47(5) 149.67(4) ? Al1 Al2 Al2 17_4555 . 11_5555 111.90(3) 110.26(4) 113.50(4) ? Al1 Al2 Al2 17_4555 . 19_4555 111.93(6) 110.13(5) 113.74(5) ? Al1 Al2 Al2 17_4555 . 19_5555 148.62(5) 147.55(5) 149.71(5) ? Al1 Al2 Al1 25_4455 . 5_5565 96.18(5) 95.44(5) 96.93(5) ? Al1 Al2 Al1 25_4455 . 13_5555 71.35(6) 67.16(7) 75.46(7) ? Al1 Al2 Al1 25_4455 . 21_5555 71.33(6) 71.32(7) 71.34(6) ? Al1 Al2 Al1 25_4455 . 29_5565 152.74(6) 151.97(6) 153.46(6) ? Al1 Al2 Al2 25_4455 . 25_4455 34.51(4) 34.41(3) 34.68(4) ? Al1 Al2 Al2 25_4455 . 25_4555 90.02(7) 87.55(7) 92.46(7) ? Al1 Al2 Al2 25_4455 . 25_5455 89.98(5) 87.54(5) 92.45(5) ? Al1 Al2 Al2 25_4455 . 25_5555 145.49(6) 145.32(6) 145.59(6) ? Al1 Al2 Al2 25_4455 . 3_5565 124.42(8) 122.73(8) 125.97(7) ? Al1 Al2 Al2 25_4455 . 11_5455 35.67(5) 35.53(5) 35.80(4) ? Al1 Al2 Al2 25_4455 . 11_5555 91.36(5) 88.81(6) 93.80(6) ? Al1 Al2 Al2 25_4455 . 19_4555 35.68(4) 33.58(6) 37.73(5) ? Al1 Al2 Al2 25_4455 . 19_5555 91.34(5) 91.26(4) 91.40(6) ? Al1 Al2 Al1 5_5565 . 13_5555 119.88(8) 118.54(8) 121.16(8) ? Al1 Al2 Al1 5_5565 . 21_5555 119.88(3) 117.96(4) 121.74(4) ? Al1 Al2 Al1 5_5565 . 29_5565 56.60(3) 56.60(3) 56.60(3) ? Al1 Al2 Al2 5_5565 . 25_4455 61.71(3) 61.08(3) 62.32(3) ? Al1 Al2 Al2 5_5565 . 25_4555 89.99(5) 89.34(5) 90.65(5) ? Al1 Al2 Al2 5_5565 . 25_5455 90.01(4) 89.35(4) 90.66(4) ? Al1 Al2 Al2 5_5565 . 25_5555 118.29(4) 117.68(4) 118.92(4) ? Al1 Al2 Al2 5_5565 . 3_5565 28.34(5) 27.49(5) 29.25(5) ? Al1 Al2 Al2 5_5565 . 11_5455 111.90(3) 110.26(4) 113.50(4) ? Al1 Al2 Al2 5_5565 . 11_5555 148.60(5) 147.47(5) 149.67(4) ? Al1 Al2 Al2 5_5565 . 19_4555 111.93(6) 110.13(5) 113.74(5) ? Al1 Al2 Al2 5_5565 . 19_5555 148.62(5) 147.55(5) 149.71(5) ? Al1 Al2 Al1 13_5555 . 21_5555 110.98(6) 110.91(6) 111.06(6) ? Al1 Al2 Al1 13_5555 . 29_5565 119.85(4) 117.96(5) 121.74(5) ? Al1 Al2 Al2 13_5555 . 25_4455 90.02(7) 87.55(7) 92.46(7) ? Al1 Al2 Al2 13_5555 . 25_4555 34.51(4) 34.41(3) 34.68(4) ? Al1 Al2 Al2 13_5555 . 25_5455 145.49(6) 145.32(6) 145.59(6) ? Al1 Al2 Al2 13_5555 . 25_5555 89.98(5) 87.54(5) 92.45(5) ? Al1 Al2 Al2 13_5555 . 3_5565 124.42(8) 122.73(8) 125.97(7) ? Al1 Al2 Al2 13_5555 . 11_5455 91.36(5) 88.81(6) 93.80(6) ? Al1 Al2 Al2 13_5555 . 11_5555 35.67(5) 35.53(5) 35.80(4) ? Al1 Al2 Al2 13_5555 . 19_4555 35.68(4) 33.58(6) 37.73(5) ? Al1 Al2 Al2 13_5555 . 19_5555 91.34(5) 91.26(4) 91.40(6) ? Al1 Al2 Al1 21_5555 . 29_5565 119.85(8) 118.54(7) 121.16(7) ? Al1 Al2 Al2 21_5555 . 25_4455 90.02(5) 87.54(5) 92.45(5) ? Al1 Al2 Al2 21_5555 . 25_4555 145.49(6) 145.32(6) 145.59(6) ? Al1 Al2 Al2 21_5555 . 25_5455 34.51(4) 34.41(3) 34.68(4) ? Al1 Al2 Al2 21_5555 . 25_5555 89.98(7) 87.55(7) 92.46(7) ? Al1 Al2 Al2 21_5555 . 3_5565 124.39(8) 122.73(8) 125.97(7) ? Al1 Al2 Al2 21_5555 . 11_5455 35.66(5) 35.53(5) 35.80(4) ? Al1 Al2 Al2 21_5555 . 11_5555 91.32(5) 88.81(6) 93.80(6) ? Al1 Al2 Al2 21_5555 . 19_4555 91.34(5) 91.26(4) 91.40(6) ? Al1 Al2 Al2 21_5555 . 19_5555 35.64(4) 33.58(6) 37.73(5) ? Al1 Al2 Al2 29_5565 . 25_4455 118.31(4) 117.68(4) 118.92(4) ? Al1 Al2 Al2 29_5565 . 25_4555 90.00(4) 89.35(4) 90.66(4) ? Al1 Al2 Al2 29_5565 . 25_5455 90.00(5) 89.34(5) 90.65(5) ? Al1 Al2 Al2 29_5565 . 25_5555 61.69(3) 61.08(3) 62.32(3) ? Al1 Al2 Al2 29_5565 . 3_5565 28.33(5) 27.49(5) 29.25(5) ? Al1 Al2 Al2 29_5565 . 11_5455 148.58(5) 147.47(5) 149.67(4) ? Al1 Al2 Al2 29_5565 . 11_5555 111.87(3) 110.26(4) 113.50(4) ? Al1 Al2 Al2 29_5565 . 19_4555 148.64(5) 147.55(5) 149.71(5) ? Al1 Al2 Al2 29_5565 . 19_5555 111.89(6) 110.13(5) 113.74(5) ? Al2 Al2 Al2 25_4455 . 25_4555 90.00(5) 90.00(5) 90.00(5) ? Al2 Al2 Al2 25_4455 . 25_5455 90.00(3) 90.00(3) 90.00(3) ? Al2 Al2 Al2 25_4455 . 25_5555 180 180 180 ? Al2 Al2 Al2 25_4455 . 3_5565 90.01(6) 88.50(6) 91.50(6) ? Al2 Al2 Al2 25_4455 . 11_5455 59.54(4) 57.61(4) 61.44(4) ? Al2 Al2 Al2 25_4455 . 11_5555 120.50(6) 118.56(6) 122.39(6) ? Al2 Al2 Al2 25_4455 . 19_4555 59.54(4) 58.62(3) 60.48(4) ? Al2 Al2 Al2 25_4455 . 19_5555 120.48(4) 119.52(4) 121.38(3) ? Al2 Al2 Al2 25_4555 . 25_5455 180 180 180 ? Al2 Al2 Al2 25_4555 . 25_5555 90.00(3) 90.00(3) 90.00(3) ? Al2 Al2 Al2 25_4555 . 3_5565 90.01(6) 88.50(6) 91.50(6) ? Al2 Al2 Al2 25_4555 . 11_5455 120.50(6) 118.56(6) 122.39(6) ? Al2 Al2 Al2 25_4555 . 11_5555 59.54(4) 57.61(4) 61.44(4) ? Al2 Al2 Al2 25_4555 . 19_4555 59.54(4) 58.62(3) 60.48(4) ? Al2 Al2 Al2 25_4555 . 19_5555 120.48(4) 119.52(4) 121.38(3) ? Al2 Al2 Al2 25_5455 . 25_5555 90.00(5) 90.00(5) 90.00(5) ? Al2 Al2 Al2 25_5455 . 3_5565 89.99(6) 88.50(6) 91.50(6) ? Al2 Al2 Al2 25_5455 . 11_5455 59.50(4) 57.61(4) 61.44(4) ? Al2 Al2 Al2 25_5455 . 11_5555 120.46(6) 118.56(6) 122.39(6) ? Al2 Al2 Al2 25_5455 . 19_4555 120.46(4) 119.52(4) 121.38(3) ? Al2 Al2 Al2 25_5455 . 19_5555 59.52(4) 58.62(3) 60.48(4) ? Al2 Al2 Al2 25_5555 . 3_5565 89.99(6) 88.50(6) 91.50(6) ? Al2 Al2 Al2 25_5555 . 11_5455 120.46(6) 118.56(6) 122.39(6) ? Al2 Al2 Al2 25_5555 . 11_5555 59.50(4) 57.61(4) 61.44(4) ? Al2 Al2 Al2 25_5555 . 19_4555 120.46(4) 119.52(4) 121.38(3) ? Al2 Al2 Al2 25_5555 . 19_5555 59.52(4) 58.62(3) 60.48(4) ? Al2 Al2 Al2 3_5565 . 11_5455 134.05(2) 133.95(2) 134.15(2) ? Al2 Al2 Al2 3_5565 . 11_5555 134.05(2) 133.95(2) 134.15(2) ? Al2 Al2 Al2 3_5565 . 19_4555 134.21(10) 130.49(9) 137.91(9) ? Al2 Al2 Al2 3_5565 . 19_5555 134.14(10) 130.49(9) 137.91(9) ? Al2 Al2 Al2 11_5455 . 11_5555 91.64(4) 91.59(4) 91.69(4) ? Al2 Al2 Al2 11_5455 . 19_4555 60.96(4) 59.94(4) 61.91(4) ? Al2 Al2 Al2 11_5455 . 19_5555 60.94(4) 59.94(4) 61.91(4) ? Al2 Al2 Al2 11_5555 . 19_4555 60.96(4) 59.94(4) 61.91(4) ? Al2 Al2 Al2 11_5555 . 19_5555 60.94(4) 59.94(4) 61.91(4) ? Al2 Al2 Al2 19_4555 . 19_5555 91.65(5) 91.60(5) 91.70(5) ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _twin_refln_datum_id _twin_refln_individual_id _twin_refln_index_h _twin_refln_index_k _twin_refln_index_l _twin_refln_index_m_1 _twin_refln_F_squared_calc _twin_refln_F_squared_meas _twin_refln_F_squared_sigma _twin_refln_include_status 1 2 0 -2 0 0 44539.20 45611.50 691.81 o 1 1 2 0 0 0 44539.20 45611.50 691.81 o 2 1 2 0 0 1 559.57 579.70 46.70 o 3 2 0 -4 0 0 71297.80 75240.40 963.65 o 3 1 4 0 0 0 71297.80 75240.40 963.65 o 4 1 4 0 0 1 3630.57 3627.18 139.31 o 5 2 0 -6 0 0 12730.40 13699.00 782.36 o 5 1 6 0 0 0 12730.40 13699.00 782.36 o 6 1 6 0 0 1 1765.12 1695.44 211.17 o 7 2 0 -8 0 0 14777.40 17585.70 962.07 o 7 1 8 0 0 0 14777.40 17585.70 962.07 o 8 1 8 0 0 1 4100.43 3891.34 313.87 o 9 2 2 0 0 0 44536.60 44939.60 653.10 o 9 1 0 2 0 0 44536.60 44939.60 653.10 o 10 2 2 -2 0 0 103445.00 103162.00 786.26 o 10 1 2 2 0 0 103445.00 103162.00 786.26 o 11 2 2 -2 0 1 2298.01 2261.85 71.10 o 11 1 2 2 0 1 2298.01 2261.85 71.10 o 12 2 2 -4 0 0 21363.10 20864.90 633.11 o 12 1 4 2 0 0 21363.10 20864.90 633.11 o 13 2 2 -4 0 1 1384.54 1381.94 116.68 o 13 1 4 2 0 1 1384.54 1381.94 116.68 o 14 2 2 -6 0 1 4255.67 4472.51 334.83 o 14 1 6 2 0 1 4255.67 4472.51 334.83 o 15 2 2 -8 0 0 5526.45 5982.69 382.80 o 15 1 8 2 0 0 5526.45 5982.69 382.80 o 16 2 2 -8 0 1 1703.91 1744.96 165.37 o 16 1 8 2 0 1 1703.91 1744.96 165.37 o 17 2 4 0 0 0 71296.60 68976.40 865.91 o 17 1 0 4 0 0 71296.60 68976.40 865.91 o 18 2 4 -2 0 0 21362.60 22323.10 648.42 o 18 1 2 4 0 0 21362.60 22323.10 648.42 o 19 2 4 -2 0 1 1270.92 1336.97 124.86 o 19 1 2 4 0 1 1270.92 1336.97 124.86 o 20 2 4 -4 0 0 39593.60 39142.30 855.06 o 20 1 4 4 0 0 39593.60 39142.30 855.06 o 21 2 4 -4 0 1 3793.58 4090.04 214.25 o 21 1 4 4 0 1 3793.58 4090.04 214.25 o 22 2 4 -6 0 0 8324.92 8674.86 483.63 o 22 1 6 4 0 0 8324.92 8674.86 483.63 o 23 2 4 -6 0 1 1526.44 1632.56 164.37 o 23 1 6 4 0 1 1526.44 1632.56 164.37 o 24 2 4 -8 0 0 9729.14 10610.60 535.41 o 24 1 8 4 0 0 9729.14 10610.60 535.41 o 25 2 4 -8 0 1 3164.99 3112.89 222.20 o 25 1 8 4 0 1 3164.99 3112.89 222.20 o 26 2 1 -1 1 -1 168.68 173.51 18.26 o 26 1 1 1 1 -1 168.68 173.51 18.26 o 27 2 1 -1 1 0 25659.50 25590.30 222.33 o 27 1 1 1 1 0 25659.50 25590.30 222.33 o 28 2 1 -1 1 1 109.00 124.79 16.23 o 28 1 1 1 1 1 109.00 124.79 16.23 o 29 2 1 -3 1 -1 284.83 310.43 36.52 o 29 1 3 1 1 -1 284.83 310.43 36.52 o 30 2 1 -3 1 0 17309.70 17401.90 264.70 o 30 1 3 1 1 0 17309.70 17401.90 264.70 o 31 2 1 -3 1 1 852.62 853.30 55.80 o 31 1 3 1 1 1 852.62 853.30 55.80 o 32 2 1 -5 1 -1 764.03 821.78 125.80 o 32 1 5 1 1 -1 764.03 821.78 125.80 o 33 2 1 -5 1 0 9552.99 9758.49 406.77 o 33 1 5 1 1 0 9552.99 9758.49 406.77 o 34 2 1 -5 1 1 957.87 997.24 102.46 o 34 1 5 1 1 1 957.87 997.24 102.46 o 35 2 1 -7 1 -1 750.33 726.38 108.55 o 35 1 7 1 1 -1 750.33 726.38 108.55 o 36 2 1 -7 1 0 5145.96 5658.72 247.75 o 36 1 7 1 1 0 5145.96 5658.72 247.75 o 37 2 1 -7 1 1 1399.04 1415.26 142.03 o 37 1 7 1 1 1 1399.04 1415.26 142.03 o 38 2 1 -9 1 -1 943.95 946.53 127.83 o 38 1 9 1 1 -1 943.95 946.53 127.83 o 39 2 1 -9 1 0 2558.62 3001.85 311.55 o 39 1 9 1 1 0 2558.62 3001.85 311.55 o 40 2 1 -9 1 1 1222.50 1210.29 217.10 o 40 1 9 1 1 1 1222.50 1210.29 217.10 o 41 2 3 -1 1 -1 248.40 265.86 40.59 o 41 1 1 3 1 -1 248.40 265.86 40.59 o 42 2 3 -1 1 0 17276.50 17624.70 218.76 o 42 1 1 3 1 0 17276.50 17624.70 218.76 o 43 2 3 -1 1 1 784.61 838.45 45.68 o 43 1 1 3 1 1 784.61 838.45 45.68 o 44 2 3 -3 1 -1 749.26 769.17 69.00 o 44 1 3 3 1 -1 749.26 769.17 69.00 o 45 2 3 -3 1 0 12438.90 12604.50 248.53 o 45 1 3 3 1 0 12438.90 12604.50 248.53 o 46 2 3 -3 1 1 510.58 516.46 55.81 o 46 1 3 3 1 1 510.58 516.46 55.81 o 47 2 3 -5 1 -1 385.95 398.70 112.61 o 47 1 5 3 1 -1 385.95 398.70 112.61 o 48 2 3 -5 1 0 7624.74 7994.48 308.93 o 48 1 5 3 1 0 7624.74 7994.48 308.93 o 49 2 3 -5 1 1 1410.21 1488.54 139.01 o 49 1 5 3 1 1 1410.21 1488.54 139.01 o 50 2 3 -7 1 -1 956.43 957.74 127.83 o 50 1 7 3 1 -1 956.43 957.74 127.83 o 51 2 3 -7 1 0 4312.31 4547.04 249.74 o 51 1 7 3 1 0 4312.31 4547.04 249.74 o 52 2 3 -7 1 1 932.59 1023.63 187.68 o 52 1 7 3 1 1 932.59 1023.63 187.68 o 53 2 5 -1 1 -1 692.40 629.19 137.00 o 53 1 1 5 1 -1 692.40 629.19 137.00 o 54 2 5 -1 1 0 9498.41 9313.04 453.65 o 54 1 1 5 1 0 9498.41 9313.04 453.65 o 55 2 5 -1 1 1 834.95 754.12 144.12 o 55 1 1 5 1 1 834.95 754.12 144.12 o 56 2 5 -3 1 -1 347.48 319.61 111.61 < 56 1 3 5 1 -1 347.48 319.61 111.61 < 57 2 5 -3 1 0 7596.92 7638.51 385.18 o 57 1 3 5 1 0 7596.92 7638.51 385.18 o 58 2 5 -3 1 1 1339.08 1241.26 180.66 o 58 1 3 5 1 1 1339.08 1241.26 180.66 o 59 2 5 -5 1 -1 915.80 982.19 168.43 o 59 1 5 5 1 -1 915.80 982.19 168.43 o 60 2 5 -5 1 0 5163.09 5330.13 340.18 o 60 1 5 5 1 0 5163.09 5330.13 340.18 o 61 2 5 -5 1 1 668.62 690.95 133.93 o 61 1 5 5 1 1 668.62 690.95 133.93 o 62 2 5 -7 1 -1 439.22 467.69 140.00 o 62 1 7 5 1 -1 439.22 467.69 140.00 o 63 2 5 -7 1 0 3081.93 3202.15 307.53 o 63 1 7 5 1 0 3081.93 3202.15 307.53 o 64 2 5 -7 1 1 1272.28 1475.25 219.16 o 64 1 7 5 1 1 1272.28 1475.25 219.16 o 65 2 0 0 2 0 23638.20 24605.90 407.70 o 65 1 0 0 2 0 23638.20 24605.90 407.70 o 66 1 2 0 2 -1 1211.47 1240.46 68.07 o 67 2 0 -2 2 0 81951.70 85286.30 638.52 o 67 1 2 0 2 0 81951.70 85286.30 638.52 o 68 1 2 0 2 1 738.14 724.95 51.78 o 69 1 4 0 2 -1 940.65 886.17 119.78 o 70 2 0 -4 2 0 11580.10 12016.20 313.64 o 70 1 4 0 2 0 11580.10 12016.20 313.64 o 71 1 4 0 2 1 382.15 398.79 64.94 o 72 1 6 0 2 -1 3630.45 3632.19 283.46 o 73 2 0 -6 2 0 22905.10 23483.10 631.07 o 73 1 6 0 2 0 22905.10 23483.10 631.07 o 74 1 6 0 2 1 2335.87 2407.64 239.65 o 75 1 8 0 2 -1 1382.80 1448.28 210.09 o 76 2 0 -8 2 0 3385.59 3688.59 304.51 o 76 1 8 0 2 0 3385.59 3688.59 304.51 o 77 1 8 0 2 1 728.66 727.55 157.28 o 78 2 2 0 2 0 81943.40 83222.10 695.16 o 78 1 0 2 2 0 81943.40 83222.10 695.16 o 79 2 2 -2 2 -1 571.90 552.03 48.71 o 79 1 2 2 2 -1 571.90 552.03 48.71 o 80 2 2 -2 2 0 16204.10 16741.70 312.76 o 80 1 2 2 2 0 16204.10 16741.70 312.76 o 81 2 2 -2 2 1 223.60 253.65 37.54 o 81 1 2 2 2 1 223.60 253.65 37.54 o 82 2 2 -4 2 -1 2977.78 3179.42 184.70 o 82 1 4 2 2 -1 2977.78 3179.42 184.70 o 83 2 2 -4 2 0 39418.70 39352.50 596.28 o 83 1 4 2 2 0 39418.70 39352.50 596.28 o 84 2 2 -4 2 1 1857.19 1916.75 139.01 o 84 1 4 2 2 1 1857.19 1916.75 139.01 o 85 2 2 -6 2 -1 1236.50 1264.10 129.86 o 85 1 6 2 2 -1 1236.50 1264.10 129.86 o 86 2 2 -6 2 0 5804.20 6217.94 286.42 o 86 1 6 2 2 0 5804.20 6217.94 286.42 o 87 2 2 -6 2 1 564.36 632.04 129.86 o 87 1 6 2 2 1 564.36 632.04 129.86 o 88 2 2 -8 2 -1 3185.76 3245.48 217.11 o 88 1 8 2 2 -1 3185.76 3245.48 217.11 o 89 2 2 -8 2 0 9234.69 9831.24 490.70 o 89 1 8 2 2 0 9234.69 9831.24 490.70 o 90 2 2 -8 2 1 2162.52 2177.15 236.38 o 90 1 8 2 2 1 2162.52 2177.15 236.38 o 91 2 4 0 2 0 11554.40 11483.00 266.83 o 91 1 0 4 2 0 11554.40 11483.00 266.83 o 92 2 4 -2 2 -1 2736.33 2873.96 262.10 o 92 1 2 4 2 -1 2736.33 2873.96 262.10 o 93 2 4 -2 2 0 39393.70 40332.40 933.02 o 93 1 2 4 2 0 39393.70 40332.40 933.02 o 94 2 4 -2 2 1 1705.17 1872.32 166.52 o 94 1 2 4 2 1 1705.17 1872.32 166.52 o 95 2 4 -4 2 -1 1030.33 1071.56 111.62 o 95 1 4 4 2 -1 1030.33 1071.56 111.62 o 96 2 4 -4 2 0 7094.35 6799.14 324.15 o 96 1 4 4 2 0 7094.35 6799.14 324.15 o 97 2 4 -6 2 1 1979.78 2322.61 235.41 o 97 1 6 4 2 1 1979.78 2322.61 235.41 o 98 2 4 -8 2 -1 1115.39 1049.03 164.35 o 98 1 8 4 2 -1 1115.39 1049.03 164.35 o 99 2 4 -8 2 0 2477.98 2691.36 283.14 o 99 1 8 4 2 0 2477.98 2691.36 283.14 o 100 2 4 -8 2 1 605.49 671.61 196.82 o 100 1 8 4 2 1 605.49 671.61 196.82 o 101 2 6 -2 2 0 5784.23 6005.00 544.43 o 101 1 2 6 2 0 5784.23 6005.00 544.43 o 102 2 6 -2 2 1 502.06 412.98 135.97 o 102 1 2 6 2 1 502.06 412.98 135.97 o 103 2 6 -4 2 -1 2861.93 2852.88 281.23 o 103 1 4 6 2 -1 2861.93 2852.88 281.23 o 104 2 6 -4 2 0 14359.40 13997.50 530.93 o 104 1 4 6 2 0 14359.40 13997.50 530.93 o 105 2 6 -4 2 1 1864.02 1875.70 236.49 o 105 1 4 6 2 1 1864.02 1875.70 236.49 o 106 2 6 -6 2 -1 992.21 1056.24 185.68 o 106 1 6 6 2 -1 992.21 1056.24 185.68 o 107 2 6 -6 2 0 2941.27 2920.99 282.15 o 107 1 6 6 2 0 2941.27 2920.99 282.15 o 108 2 6 -6 2 1 507.33 517.43 155.23 o 108 1 6 6 2 1 507.33 517.43 155.23 o 109 2 1 -1 3 -1 190.75 182.63 18.26 o 109 1 1 1 3 -1 190.75 182.63 18.26 o 110 2 1 -1 3 0 62457.00 61477.20 343.09 o 110 1 1 1 3 0 62457.00 61477.20 343.09 o 111 2 1 -1 3 1 540.76 566.28 31.46 o 111 1 1 1 3 1 540.76 566.28 31.46 o 112 2 1 -3 3 -1 1221.29 1214.54 54.79 o 112 1 3 1 3 -1 1221.29 1214.54 54.79 o 113 2 1 -3 3 0 41393.40 40705.50 299.96 o 113 1 3 1 3 0 41393.40 40705.50 299.96 o 114 2 1 -3 3 1 1333.71 1314.83 49.71 o 114 1 3 1 3 1 1333.71 1314.83 49.71 o 115 2 1 -5 3 -1 1479.99 1498.40 132.90 o 115 1 5 1 3 -1 1479.99 1498.40 132.90 o 116 2 1 -5 3 0 22745.10 22780.50 427.49 o 116 1 5 1 3 0 22745.10 22780.50 427.49 o 117 2 1 -5 3 1 2676.12 2730.27 267.85 o 117 1 5 1 3 1 2676.12 2730.27 267.85 o 118 2 1 -7 3 -1 1987.39 1911.37 208.99 o 118 1 7 1 3 -1 1987.39 1911.37 208.99 o 119 2 1 -7 3 0 11181.90 12229.90 453.37 o 119 1 7 1 3 0 11181.90 12229.90 453.37 o 120 2 1 -9 3 -1 1671.74 1429.41 194.78 o 120 1 9 1 3 -1 1671.74 1429.41 194.78 o 121 2 3 -1 3 -1 1117.32 1037.60 61.93 o 121 1 1 3 3 -1 1117.32 1037.60 61.93 o 122 2 3 -1 3 0 41380.70 40500.60 392.77 o 122 1 1 3 3 0 41380.70 40500.60 392.77 o 123 2 3 -1 3 1 1176.07 1212.42 66.00 o 123 1 1 3 3 1 1176.07 1212.42 66.00 o 124 2 3 -3 3 -1 879.78 859.50 99.45 o 124 1 3 3 3 -1 879.78 859.50 99.45 o 125 2 3 -3 3 0 30045.90 28477.90 474.97 o 125 1 3 3 3 0 30045.90 28477.90 474.97 o 126 2 3 -3 3 1 2441.70 2657.86 157.36 o 126 1 3 3 3 1 2441.70 2657.86 157.36 o 127 2 3 -5 3 -1 2010.85 1961.52 185.70 o 127 1 5 3 3 -1 2010.85 1961.52 185.70 o 128 2 3 -5 3 0 17735.30 18329.80 561.16 o 128 1 5 3 3 0 17735.30 18329.80 561.16 o 129 2 3 -5 3 1 1899.59 2098.28 192.78 o 129 1 5 3 3 1 1899.59 2098.28 192.78 o 130 2 3 -7 3 -1 1397.63 1344.24 184.64 o 130 1 7 3 3 -1 1397.63 1344.24 184.64 o 131 2 3 -7 3 0 9094.12 10119.60 461.28 o 131 1 7 3 3 0 9094.12 10119.60 461.28 o 132 2 3 -7 3 1 2752.73 3073.36 271.92 o 132 1 7 3 3 1 2752.73 3073.36 271.92 o 133 2 5 -1 3 -1 1290.77 1214.18 181.72 o 133 1 1 5 3 -1 1290.77 1214.18 181.72 o 134 2 5 -1 3 0 22729.60 21435.90 651.98 o 134 1 1 5 3 0 22729.60 21435.90 651.98 o 135 2 5 -1 3 1 2387.44 2406.12 239.70 o 135 1 1 5 3 1 2387.44 2406.12 239.70 o 136 2 5 -3 3 0 17729.20 18422.80 575.42 o 136 1 3 5 3 0 17729.20 18422.80 575.42 o 137 2 5 -3 3 1 1746.12 2018.10 219.27 o 137 1 3 5 3 1 1746.12 2018.10 219.27 o 138 2 5 -5 3 -1 1083.52 1106.01 166.41 o 138 1 5 5 3 -1 1083.52 1106.01 166.41 o 139 2 5 -5 3 0 11301.10 10979.80 623.15 o 139 1 5 5 3 0 11301.10 10979.80 623.15 o 140 2 5 -7 3 -1 1727.08 1779.71 214.09 o 140 1 7 5 3 -1 1727.08 1779.71 214.09 o 141 2 5 -7 3 0 6148.27 6256.97 456.93 o 141 1 7 5 3 0 6148.27 6256.97 456.93 o 142 2 7 -5 3 0 6151.62 6057.90 521.92 o 142 1 5 7 3 0 6151.62 6057.90 521.92 o 143 2 7 -5 3 1 1507.80 1622.71 217.17 o 143 1 5 7 3 1 1507.80 1622.71 217.17 o 144 2 0 0 4 0 44120.50 44264.90 477.72 o 144 1 0 0 4 0 44120.50 44264.90 477.72 o 145 1 2 0 4 -1 52.90 56.81 29.42 < 146 2 0 -2 4 0 3313.24 3529.69 176.79 o 146 1 2 0 4 0 3313.24 3529.69 176.79 o 147 1 2 0 4 1 30.84 40.58 28.41 < 148 1 4 0 4 -1 1159.30 1128.85 137.05 o 149 2 0 -4 4 0 21553.20 22266.00 521.66 o 149 1 4 0 4 0 21553.20 22266.00 521.66 o 150 1 4 0 4 1 964.30 1043.45 117.74 o 151 1 6 0 4 -1 279.46 268.87 91.31 < 152 2 0 -6 4 0 1625.73 1485.64 200.93 o 152 1 6 0 4 0 1625.73 1485.64 200.93 o 153 1 6 0 4 1 194.31 223.20 99.43 < 154 1 8 0 4 -1 1658.46 1374.28 230.40 o 155 2 0 -8 4 0 5639.71 6173.12 433.54 o 155 1 8 0 4 0 5639.71 6173.12 433.54 o 156 1 8 0 4 1 1445.68 1356.94 228.36 o 157 2 2 0 4 0 3303.77 3353.12 118.88 o 157 1 0 2 4 0 3303.77 3353.12 118.88 o 158 2 2 -2 4 -1 688.65 667.71 42.62 o 158 1 2 2 4 -1 688.65 667.71 42.62 o 159 2 2 -2 4 0 29546.10 29100.80 261.65 o 159 1 2 2 4 0 29546.10 29100.80 261.65 o 160 2 2 -2 4 1 566.30 545.91 37.54 o 160 1 2 2 4 1 566.30 545.91 37.54 o 161 2 2 -4 4 -1 160.38 154.20 47.68 o 161 1 4 2 4 -1 160.38 154.20 47.68 o 162 2 2 -4 4 0 2022.89 1974.20 141.09 o 162 1 4 2 4 0 2022.89 1974.20 141.09 o 163 2 2 -4 4 1 99.76 103.48 45.65 < 163 1 4 2 4 1 99.76 103.48 45.65 < 164 2 2 -6 4 -1 1523.21 1560.36 168.41 o 164 1 6 2 4 -1 1523.21 1560.36 168.41 o 165 2 2 -6 4 0 10368.10 10906.70 407.60 o 165 1 6 2 4 0 10368.10 10906.70 407.60 o 166 2 2 -6 4 1 1297.19 1483.24 163.34 o 166 1 6 2 4 1 1297.19 1483.24 163.34 o 167 2 2 -8 4 -1 404.79 418.98 140.00 < 167 1 8 2 4 -1 404.79 418.98 140.00 < 168 2 2 -8 4 1 315.13 371.30 154.20 < 168 1 8 2 4 1 315.13 371.30 154.20 < 169 2 4 0 4 0 21487.30 20920.90 679.08 o 169 1 0 4 4 0 21487.30 20920.90 679.08 o 170 2 4 -2 4 -1 146.62 151.17 56.82 < 170 1 2 4 4 -1 146.62 151.17 56.82 < 171 2 4 -2 4 0 2007.08 1989.55 162.41 o 171 1 2 4 4 0 2007.08 1989.55 162.41 o 172 2 4 -2 4 1 91.07 95.37 49.71 < 172 1 2 4 4 1 91.07 95.37 49.71 < 173 2 4 -4 4 -1 1278.90 1302.97 167.44 o 173 1 4 4 4 -1 1278.90 1302.97 167.44 o 174 2 4 -4 4 0 12940.10 12009.00 427.29 o 174 1 4 4 4 0 12940.10 12009.00 427.29 o 175 2 4 -4 4 1 1076.15 1168.96 156.27 o 175 1 4 4 4 1 1076.15 1168.96 156.27 o 176 2 4 -6 4 -1 275.70 297.25 96.38 o 176 1 6 4 4 -1 275.70 297.25 96.38 o 177 2 4 -6 4 0 1363.05 1496.70 177.57 o 177 1 6 4 4 0 1363.05 1496.70 177.57 o 178 2 4 -6 4 1 199.45 229.28 84.20 < 178 1 6 4 4 1 199.45 229.28 84.20 < 179 2 4 -8 4 -1 1314.53 1414.27 192.76 o 179 1 8 4 4 -1 1314.53 1414.27 192.76 o 180 2 4 -8 4 0 3928.74 4088.51 370.48 o 180 1 8 4 4 0 3928.74 4088.51 370.48 o 181 2 6 -2 4 -1 1357.59 1320.54 191.84 o 181 1 2 6 4 -1 1357.59 1320.54 191.84 o 182 2 6 -2 4 0 10309.90 10026.10 471.72 o 182 1 2 6 4 0 10309.90 10026.10 471.72 o 183 2 6 -2 4 1 1155.79 1182.40 194.87 o 183 1 2 6 4 1 1155.79 1182.40 194.87 o 184 2 6 -4 4 -1 257.96 246.54 109.57 < 184 1 4 6 4 -1 257.96 246.54 109.57 < 185 2 6 -4 4 0 1350.87 1315.11 188.74 o 185 1 4 6 4 0 1350.87 1315.11 188.74 o 186 2 6 -4 4 1 186.30 201.89 101.45 < 186 1 4 6 4 1 186.30 201.89 101.45 < 187 2 6 -6 4 -1 1178.13 1218.61 194.82 o 187 1 6 6 4 -1 1178.13 1218.61 194.82 o 188 2 6 -6 4 0 4730.90 4620.15 309.63 o 188 1 6 6 4 0 4730.90 4620.15 309.63 o 189 2 6 -6 4 1 1021.46 1049.14 174.52 o 189 1 6 6 4 1 1021.46 1049.14 174.52 o 190 2 1 -1 5 -1 475.52 470.83 33.49 o 190 1 1 1 5 -1 475.52 470.83 33.49 o 191 2 1 -1 5 0 59092.20 57364.70 368.68 o 191 1 1 1 5 0 59092.20 57364.70 368.68 o 192 2 1 -1 5 1 211.09 236.40 24.35 o 192 1 1 1 5 1 211.09 236.40 24.35 o 193 2 1 -3 5 -1 1265.40 1183.95 56.81 o 193 1 3 1 5 -1 1265.40 1183.95 56.81 o 194 2 1 -3 5 0 41747.10 40751.20 276.62 o 194 1 3 1 5 0 41747.10 40751.20 276.62 o 195 2 1 -3 5 1 1315.67 1333.21 57.83 o 195 1 3 1 5 1 1315.67 1333.21 57.83 o 196 2 1 -5 5 -1 2597.94 2724.15 158.27 o 196 1 5 1 5 -1 2597.94 2724.15 158.27 o 197 2 1 -5 5 0 23891.60 24390.10 420.27 o 197 1 5 1 5 0 23891.60 24390.10 420.27 o 198 2 1 -5 5 1 1730.71 1841.30 126.81 o 198 1 5 1 5 1 1730.71 1841.30 126.81 o 199 2 1 -7 5 -1 2516.55 2343.47 162.32 o 199 1 7 1 5 -1 2516.55 2343.47 162.32 o 200 2 1 -7 5 0 11875.80 12570.90 301.92 o 200 1 7 1 5 0 11875.80 12570.90 301.92 o 201 2 1 -7 5 1 2270.90 2210.65 183.63 o 201 1 7 1 5 1 2270.90 2210.65 183.63 o 202 2 3 -1 5 -1 1116.37 1143.18 99.50 o 202 1 1 3 5 -1 1116.37 1143.18 99.50 o 203 2 3 -1 5 0 41742.00 40398.30 640.67 o 203 1 1 3 5 0 41742.00 40398.30 640.67 o 204 2 3 -1 5 1 1199.80 1224.30 105.58 o 204 1 1 3 5 1 1199.80 1224.30 105.58 o 205 2 3 -3 5 -1 2329.53 2206.89 172.57 o 205 1 3 3 5 -1 2329.53 2206.89 172.57 o 206 2 3 -3 5 0 31149.00 28188.30 576.94 o 206 1 3 3 5 0 31149.00 28188.30 576.94 o 207 2 3 -3 5 1 1069.94 1158.87 116.70 o 207 1 3 3 5 1 1069.94 1158.87 116.70 o 208 2 3 -5 5 -1 1891.94 1995.79 173.50 o 208 1 5 3 5 -1 1891.94 1995.79 173.50 o 209 2 3 -5 5 0 18758.90 19885.10 529.56 o 209 1 5 3 5 0 18758.90 19885.10 529.56 o 210 2 3 -5 5 1 2264.75 2362.35 189.76 o 210 1 5 3 5 1 2264.75 2362.35 189.76 o 211 2 3 -7 5 -1 2715.87 2800.39 217.13 o 211 1 7 3 5 -1 2715.87 2800.39 217.13 o 212 2 3 -7 5 0 9663.88 10332.40 368.83 o 212 1 7 3 5 0 9663.88 10332.40 368.83 o 213 2 3 -7 5 1 1658.70 1786.58 183.63 o 213 1 7 3 5 1 1658.70 1786.58 183.63 o 214 2 5 -1 5 -1 2315.71 2240.32 160.46 o 214 1 1 5 5 -1 2315.71 2240.32 160.46 o 215 2 5 -1 5 0 23891.00 23901.40 546.76 o 215 1 1 5 5 0 23891.00 23901.40 546.76 o 216 2 5 -1 5 1 1510.48 1481.23 144.16 o 216 1 1 5 5 1 1510.48 1481.23 144.16 o 217 2 5 -3 5 -1 1740.70 1526.71 176.63 o 217 1 3 5 5 -1 1740.70 1526.71 176.63 o 218 2 5 -3 5 0 18760.80 17860.40 554.00 o 218 1 3 5 5 0 18760.80 17860.40 554.00 o 219 2 5 -3 5 1 2140.73 2320.59 218.25 o 219 1 3 5 5 1 2140.73 2320.59 218.25 o 220 2 5 -5 5 -1 2652.89 2738.34 226.33 o 220 1 5 5 5 -1 2652.89 2738.34 226.33 o 221 2 5 -5 5 0 12012.50 11839.00 377.15 o 221 1 5 5 5 0 12012.50 11839.00 377.15 o 222 2 5 -5 5 1 1332.69 1364.80 182.65 o 222 1 5 5 5 1 1332.69 1364.80 182.65 o 223 2 5 -7 5 -1 1620.45 1553.37 180.60 o 223 1 7 5 5 -1 1620.45 1553.37 180.60 o 224 2 5 -7 5 0 6532.51 6866.43 341.19 o 224 1 7 5 5 0 6532.51 6866.43 341.19 o 225 2 5 -7 5 1 1946.69 2150.09 203.95 o 225 1 7 5 5 1 1946.69 2150.09 203.95 o 226 2 7 -3 5 -1 2483.30 2199.91 340.09 o 226 1 3 7 5 -1 2483.30 2199.91 340.09 o 227 2 7 -3 5 0 9676.41 8776.55 439.95 o 227 1 3 7 5 0 9676.41 8776.55 439.95 o 228 2 7 -3 5 1 1475.99 1565.06 231.41 o 228 1 3 7 5 1 1475.99 1565.06 231.41 o 229 2 7 -5 5 -1 1522.53 1405.53 191.80 o 229 1 5 7 5 -1 1522.53 1405.53 191.80 o 230 2 7 -5 5 0 6540.42 6023.51 385.86 o 230 1 5 7 5 0 6540.42 6023.51 385.86 o 231 2 7 -5 5 1 1861.01 1946.49 263.86 o 231 1 5 7 5 1 1861.01 1946.49 263.86 o 232 2 0 0 6 0 8834.48 9329.13 254.56 o 232 1 0 0 6 0 8834.48 9329.13 254.56 o 233 1 2 0 6 -1 370.58 391.69 80.16 o 234 2 0 -2 6 0 40833.50 41779.00 683.38 o 234 1 2 0 6 0 40833.50 41779.00 683.38 o 235 1 2 0 6 1 584.37 590.66 91.34 o 236 1 6 0 6 -1 1462.76 1448.44 131.95 o 237 2 0 -6 6 0 14256.30 15185.50 453.66 o 237 1 6 0 6 0 14256.30 15185.50 453.66 o 238 1 6 0 6 1 2218.55 2172.72 197.98 o 239 1 8 0 6 -1 432.19 397.73 127.84 o 240 2 2 0 6 0 40816.40 39788.70 439.51 o 240 1 0 2 6 0 40816.40 39788.70 439.51 o 241 2 2 -2 6 -1 79.42 72.03 25.36 < 241 1 2 2 6 -1 79.42 72.03 25.36 < 242 2 2 -2 6 0 6506.52 6187.81 209.41 o 242 1 2 2 6 0 6506.52 6187.81 209.41 o 243 2 2 -2 6 1 240.79 257.70 50.73 o 243 1 2 2 6 1 240.79 257.70 50.73 o 244 2 2 -4 6 -1 1081.52 931.39 96.39 o 244 1 4 2 6 -1 1081.52 931.39 96.39 o 245 2 2 -4 6 0 22987.30 21554.70 398.84 o 245 1 4 2 6 0 22987.30 21554.70 398.84 o 246 2 2 -6 6 -1 291.34 251.60 71.01 o 246 1 6 2 6 -1 291.34 251.60 71.01 o 247 2 2 -6 6 0 3131.24 3388.20 200.98 o 247 1 6 2 6 0 3131.24 3388.20 200.98 o 248 2 2 -6 6 1 679.92 692.91 93.33 o 248 1 6 2 6 1 679.92 692.91 93.33 o 249 2 2 -8 6 -1 1467.75 1260.01 150.15 o 249 1 8 2 6 -1 1467.75 1260.01 150.15 o 250 2 2 -8 6 0 6217.55 6700.48 298.52 o 250 1 8 2 6 0 6217.55 6700.48 298.52 o 251 2 2 -8 6 1 2111.29 2075.69 182.61 o 251 1 8 2 6 1 2111.29 2075.69 182.61 o 252 2 4 0 6 0 5142.01 5392.36 445.98 o 252 1 0 4 6 0 5142.01 5392.36 445.98 o 253 2 4 -2 6 -1 992.32 1039.26 139.04 o 253 1 2 4 6 -1 992.32 1039.26 139.04 o 254 2 4 -2 6 0 22957.60 21078.60 586.59 o 254 1 2 4 6 0 22957.60 21078.60 586.59 o 255 2 4 -2 6 1 1558.59 1743.99 136.03 o 255 1 2 4 6 1 1558.59 1743.99 136.03 o 256 2 4 -4 6 1 536.66 701.09 160.31 o 256 1 4 4 6 1 536.66 701.09 160.31 o 257 2 4 -6 6 -1 1283.72 1329.13 153.21 o 257 1 6 4 6 -1 1283.72 1329.13 153.21 o 258 2 4 -6 6 0 9332.40 9749.68 357.64 o 258 1 6 4 6 0 9332.40 9749.68 357.64 o 259 2 4 -6 6 1 1925.38 1936.99 186.70 o 259 1 6 4 6 1 1925.38 1936.99 186.70 o 260 2 6 0 6 0 14207.40 14030.90 536.13 o 260 1 0 6 6 0 14207.40 14030.90 536.13 o 261 2 6 -2 6 -1 258.83 213.06 108.56 < 261 1 2 6 6 -1 258.83 213.06 108.56 < 262 2 6 -2 6 0 3108.76 3008.75 242.61 o 262 1 2 6 6 0 3108.76 3008.75 242.61 o 263 2 6 -2 6 1 605.39 579.40 142.06 o 263 1 2 6 6 1 605.39 579.40 142.06 o 264 2 6 -4 6 -1 1207.72 1200.49 267.90 o 264 1 4 6 6 -1 1207.72 1200.49 267.90 o 265 2 6 -4 6 0 9317.48 8729.91 402.36 o 265 1 4 6 6 0 9317.48 8729.91 402.36 o 266 2 6 -4 6 1 1813.40 1832.97 216.18 o 266 1 4 6 6 1 1813.40 1832.97 216.18 o 267 2 6 -6 6 -1 294.96 315.52 140.01 < 267 1 6 6 6 -1 294.96 315.52 140.01 < 268 2 6 -6 6 0 1791.57 1589.09 193.82 o 268 1 6 6 6 0 1791.57 1589.09 193.82 o 269 2 6 -6 6 1 597.36 606.72 149.14 o 269 1 6 6 6 1 597.36 606.72 149.14 o 270 2 1 -1 7 -1 105.89 100.44 19.28 o 270 1 1 1 7 -1 105.89 100.44 19.28 o 271 2 1 -1 7 0 20076.90 20034.30 228.77 o 271 1 1 1 7 0 20076.90 20034.30 228.77 o 272 2 1 -1 7 1 112.01 109.57 26.38 o 272 1 1 1 7 1 112.01 109.57 26.38 o 273 2 1 -3 7 -1 768.60 800.49 169.43 o 273 1 3 1 7 -1 768.60 800.49 169.43 o 274 2 1 -3 7 0 15169.70 15483.90 650.89 o 274 1 3 1 7 0 15169.70 15483.90 650.89 o 275 2 1 -3 7 1 243.34 277.97 108.55 < 275 1 3 1 7 1 243.34 277.97 108.55 < 276 2 1 -5 7 -1 1036.31 939.42 65.94 o 276 1 5 1 7 -1 1036.31 939.42 65.94 o 277 2 1 -7 7 -1 1486.45 1385.83 122.76 o 277 1 7 1 7 -1 1486.45 1385.83 122.76 o 278 2 1 -7 7 0 5331.68 5626.90 189.87 o 278 1 7 1 7 0 5331.68 5626.90 189.87 o 279 2 1 -7 7 1 744.51 758.84 95.36 o 279 1 7 1 7 1 744.51 758.84 95.36 o 280 2 3 -1 7 -1 703.19 583.53 83.22 o 280 1 1 3 7 -1 703.19 583.53 83.22 o 281 2 3 -1 7 0 15149.80 13999.90 419.70 o 281 1 1 3 7 0 15149.80 13999.90 419.70 o 282 2 3 -1 7 1 212.64 261.77 89.29 < 282 1 1 3 7 1 212.64 261.77 89.29 < 283 2 3 -3 7 -1 588.77 564.13 72.04 o 283 1 3 3 7 -1 588.77 564.13 72.04 o 284 2 3 -3 7 0 11907.00 12510.80 322.48 o 284 1 3 3 7 0 11907.00 12510.80 322.48 o 285 2 3 -3 7 1 625.95 556.02 71.02 o 285 1 3 3 7 1 625.95 556.02 71.02 o 286 2 3 -5 7 -1 1439.76 1300.78 120.74 o 286 1 5 3 7 -1 1439.76 1300.78 120.74 o 287 2 3 -5 7 0 7820.59 7251.83 231.64 o 287 1 5 3 7 0 7820.59 7251.83 231.64 o 288 2 3 -5 7 1 420.25 447.40 74.06 o 288 1 5 3 7 1 420.25 447.40 74.06 o 289 2 3 -7 7 -1 1065.02 985.09 125.80 o 289 1 7 3 7 -1 1065.02 985.09 125.80 o 290 2 3 -7 7 0 4470.43 4700.15 222.32 o 290 1 7 3 7 0 4470.43 4700.15 222.32 o 291 2 3 -7 7 1 905.88 1082.51 167.40 o 291 1 7 3 7 1 905.88 1082.51 167.40 o 292 2 5 -1 7 -1 903.59 803.80 165.43 o 292 1 1 5 7 -1 903.59 803.80 165.43 o 293 2 5 -1 7 0 9539.44 10127.80 680.07 o 293 1 1 5 7 0 9539.44 10127.80 680.07 o 294 2 5 -1 7 1 626.11 579.41 119.74 o 294 1 1 5 7 1 626.11 579.41 119.74 o 295 2 5 -3 7 -1 1362.61 1266.55 151.21 o 295 1 3 5 7 -1 1362.61 1266.55 151.21 o 296 2 5 -3 7 0 7803.18 7435.06 319.02 o 296 1 3 5 7 0 7803.18 7435.06 319.02 o 297 2 5 -3 7 1 381.40 357.14 96.39 o 297 1 3 5 7 1 381.40 357.14 96.39 o 298 2 5 -5 7 -1 814.39 735.60 133.93 o 298 1 5 5 7 -1 814.39 735.60 133.93 o 299 2 5 -5 7 0 5367.58 5219.98 405.13 o 299 1 5 5 7 0 5367.58 5219.98 405.13 o 300 2 5 -5 7 1 854.68 673.71 220.17 o 300 1 5 5 7 1 854.68 673.71 220.17 o 301 2 7 -1 7 -1 1315.09 1336.65 316.66 o 301 1 1 7 7 -1 1315.09 1336.65 316.66 o 302 2 7 -1 7 0 5301.84 5047.50 364.52 o 302 1 1 7 7 0 5301.84 5047.50 364.52 o 303 2 7 -1 7 1 649.15 611.87 160.32 o 303 1 1 7 7 1 649.15 611.87 160.32 o 304 2 7 -3 7 -1 945.20 798.63 169.47 o 304 1 3 7 7 -1 945.20 798.63 169.47 o 305 2 7 -3 7 0 4451.44 4198.84 290.35 o 305 1 3 7 7 0 4451.44 4198.84 290.35 o 306 2 7 -3 7 1 831.72 765.09 161.34 o 306 1 3 7 7 1 831.72 765.09 161.34 o 307 2 0 0 8 0 66060.40 62678.10 1032.07 o 307 1 0 0 8 0 66060.40 62678.10 1032.07 o 308 1 2 0 8 -1 212.18 233.36 136.97 < 309 2 0 -2 8 0 19437.40 20097.90 930.23 o 309 1 2 0 8 0 19437.40 20097.90 930.23 o 310 1 2 0 8 1 276.01 287.14 134.95 < 311 1 8 0 8 -1 2518.15 2683.08 213.18 o 312 2 2 0 8 0 19434.80 19664.60 578.34 o 312 1 0 2 8 0 19434.80 19664.60 578.34 o 313 2 2 -2 8 -1 1020.68 986.34 98.43 o 313 1 2 2 8 -1 1020.68 986.34 98.43 o 314 2 2 -2 8 0 49367.20 47540.10 680.10 o 314 1 2 2 8 0 49367.20 47540.10 680.10 o 315 2 2 -2 8 1 1170.19 1258.34 142.07 o 315 1 2 2 8 1 1170.19 1258.34 142.07 o 316 2 2 -4 8 -1 681.74 685.83 53.77 o 316 1 4 2 8 -1 681.74 685.83 53.77 o 317 2 2 -4 8 0 12056.40 11768.40 188.16 o 317 1 4 2 8 0 12056.40 11768.40 188.16 o 318 2 2 -4 8 1 878.93 862.37 85.22 o 318 1 4 2 8 1 878.93 862.37 85.22 o 319 2 2 -6 8 -1 2411.12 2345.65 114.64 o 319 1 6 2 8 -1 2411.12 2345.65 114.64 o 320 2 2 -6 8 0 18399.50 16966.10 313.43 o 320 1 6 2 8 0 18399.50 16966.10 313.43 o 321 2 2 -6 8 1 2747.44 2735.26 132.91 o 321 1 6 2 8 1 2747.44 2735.26 132.91 o 322 2 4 0 8 0 37748.60 37008.50 884.93 o 322 1 0 4 8 0 37748.60 37008.50 884.93 o 323 2 4 -2 8 -1 625.42 621.01 113.65 o 323 1 2 4 8 -1 625.42 621.01 113.65 o 324 2 4 -2 8 0 12053.60 11118.60 480.05 o 324 1 2 4 8 0 12053.60 11118.60 480.05 o 325 2 4 -2 8 1 806.62 914.31 174.54 o 325 1 2 4 8 1 806.62 914.31 174.54 o 326 2 4 -4 8 -1 2067.80 1993.21 169.48 o 326 1 4 4 8 -1 2067.80 1993.21 169.48 o 327 2 4 -4 8 0 23191.70 25682.10 507.35 o 327 1 4 4 8 0 23191.70 25682.10 507.35 o 328 2 4 -4 8 1 2368.94 2409.42 191.82 o 328 1 4 4 8 1 2368.94 2409.42 191.82 o 329 2 4 -6 8 -1 893.59 836.00 108.56 o 329 1 6 4 8 -1 893.59 836.00 108.56 o 330 2 4 -6 8 0 5498.95 5374.20 231.50 o 330 1 6 4 8 0 5498.95 5374.20 231.50 o 331 2 4 -6 8 1 1115.78 1040.96 124.79 o 331 1 6 4 8 1 1115.78 1040.96 124.79 o 332 2 6 0 8 0 7959.34 7406.92 406.36 o 332 1 0 6 8 0 7959.34 7406.92 406.36 o 333 2 6 -4 8 -1 840.67 694.04 136.98 o 333 1 4 6 8 -1 840.67 694.04 136.98 o 334 2 6 -4 8 0 5500.47 4739.59 259.93 o 334 1 4 6 8 0 5500.47 4739.59 259.93 o 335 2 6 -4 8 1 1050.38 962.98 162.36 o 335 1 4 6 8 1 1050.38 962.98 162.36 o 336 2 1 -1 9 -1 67.51 77.10 34.49 < 336 1 1 1 9 -1 67.51 77.10 34.49 < 337 2 1 -1 9 0 8516.64 8762.25 271.47 o 337 1 1 1 9 0 8516.64 8762.25 271.47 o 338 2 1 -1 9 1 27.81 38.55 30.43 < 338 1 1 1 9 1 27.81 38.55 30.43 < 339 2 1 -3 9 -1 143.51 170.43 95.36 < 339 1 3 1 9 -1 143.51 170.43 95.36 < 340 2 1 -3 9 0 6907.04 7010.67 441.98 o 340 1 3 1 9 0 6907.04 7010.67 441.98 o 341 2 1 -3 9 1 288.11 312.47 125.80 < 341 1 3 1 9 1 288.11 312.47 125.80 < 342 2 3 -1 9 -1 125.22 133.92 61.89 < 342 1 1 3 9 -1 125.22 133.92 61.89 < 343 2 3 -1 9 0 6889.68 6429.87 254.02 o 343 1 1 3 9 0 6889.68 6429.87 254.02 o 344 2 3 -1 9 1 265.82 279.01 63.92 o 344 1 1 3 9 1 265.82 279.01 63.92 o 345 2 3 -3 9 -1 408.86 362.20 73.05 o 345 1 3 3 9 -1 408.86 362.20 73.05 o 346 2 3 -3 9 0 5722.20 5629.79 245.79 o 346 1 3 3 9 0 5722.20 5629.79 245.79 o 347 2 3 -3 9 1 185.74 141.02 46.67 o 347 1 3 3 9 1 185.74 141.02 46.67 o 348 2 3 -5 9 -1 271.17 276.96 57.83 o 348 1 5 3 9 -1 271.17 276.96 57.83 o 349 2 3 -5 9 0 4084.91 3893.16 147.20 o 349 1 5 3 9 0 4084.91 3893.16 147.20 o 350 2 3 -5 9 1 631.57 644.24 64.93 o 350 1 5 3 9 1 631.57 644.24 64.93 o 351 2 3 -7 9 -1 651.03 580.31 81.16 o 351 1 7 3 9 -1 651.03 580.31 81.16 o 352 2 3 -7 9 0 2552.44 2481.26 141.06 o 352 1 7 3 9 0 2552.44 2481.26 141.06 o 353 2 3 -7 9 1 471.50 470.73 71.01 o 353 1 7 3 9 1 471.50 470.73 71.01 o 354 2 5 -1 9 -1 417.12 385.56 82.19 o 354 1 1 5 9 -1 417.12 385.56 82.19 o 355 2 5 -1 9 0 4787.59 4665.88 218.32 o 355 1 1 5 9 0 4787.59 4665.88 218.32 o 356 2 5 -1 9 1 349.42 352.08 80.16 o 356 1 1 5 9 1 349.42 352.08 80.16 o 357 2 5 -3 9 -1 245.35 176.53 72.03 < 357 1 3 5 9 -1 245.35 176.53 72.03 < 358 2 5 -3 9 0 4067.46 3780.64 293.40 o 358 1 3 5 9 0 4067.46 3780.64 293.40 o 359 2 5 -3 9 1 599.48 616.90 152.20 o 359 1 3 5 9 1 599.48 616.90 152.20 o 360 2 5 -5 9 -1 604.59 495.11 105.52 o 360 1 5 5 9 -1 604.59 495.11 105.52 o 361 2 5 -5 9 0 2976.62 2755.56 175.58 o 361 1 5 5 9 0 2976.62 2755.56 175.58 o 362 2 5 -5 9 1 321.71 339.87 96.38 o 362 1 5 5 9 1 321.71 339.87 96.38 o 363 2 7 -1 9 -1 454.71 340.92 141.03 < 363 1 1 7 9 -1 454.71 340.92 141.03 < 364 2 7 -1 9 0 2937.89 2881.50 276.07 o 364 1 1 7 9 0 2937.89 2881.50 276.07 o 365 2 7 -1 9 1 611.92 565.17 155.24 o 365 1 1 7 9 1 611.92 565.17 155.24 o 366 2 7 -3 9 -1 598.05 487.02 181.62 < 366 1 3 7 9 -1 598.05 487.02 181.62 < 367 2 0 0 10 0 13360.20 13639.10 691.06 o 367 1 0 0 10 0 13360.20 13639.10 691.06 o 368 1 2 0 10 -1 523.32 565.20 192.80 < 369 2 0 -2 10 0 36788.40 37668.00 1429.02 o 369 1 2 0 10 0 36788.40 37668.00 1429.02 o 370 2 2 -2 10 -1 330.99 385.53 124.79 o 370 1 2 2 10 -1 330.99 385.53 124.79 o 371 2 2 -2 10 0 10728.50 11037.40 404.69 o 371 1 2 2 10 0 10728.50 11037.40 404.69 o 372 2 2 -2 10 1 181.54 188.70 70.00 < 372 1 2 2 10 1 181.54 188.70 70.00 < 373 2 4 0 10 0 8749.05 8676.37 391.24 o 373 1 0 4 10 0 8749.05 8676.37 391.24 o 374 2 4 -2 10 -1 1515.03 1589.45 136.01 o 374 1 2 4 10 -1 1515.03 1589.45 136.01 o 375 2 4 -2 10 0 22664.10 21186.30 428.88 o 375 1 2 4 10 0 22664.10 21186.30 428.88 o 376 2 4 -2 10 1 1053.94 1097.02 119.75 o 376 1 2 4 10 1 1053.94 1097.02 119.75 o 377 2 4 -4 10 -1 767.51 713.28 94.36 o 377 1 4 4 10 -1 767.51 713.28 94.36 o 378 2 4 -4 10 0 6033.80 5946.71 209.19 o 378 1 4 4 10 0 6033.80 5946.71 209.19 o 379 2 4 -4 10 1 453.05 477.86 125.81 o 379 1 4 4 10 1 453.05 477.86 125.81 o 380 2 4 -6 10 -1 1980.28 1821.29 113.64 o 380 1 6 4 10 -1 1980.28 1821.29 113.64 o 381 2 4 -6 10 0 9702.89 9414.20 246.86 o 381 1 6 4 10 0 9702.89 9414.20 246.86 o 382 2 4 -6 10 1 1430.94 1337.24 99.43 o 382 1 6 4 10 1 1430.94 1337.24 99.43 o 383 2 6 0 10 0 14533.30 13534.00 545.02 o 383 1 0 6 10 0 14533.30 13534.00 545.02 o 384 2 6 -2 10 -1 839.29 730.62 144.09 o 384 1 2 6 10 -1 839.29 730.62 144.09 o 385 2 6 -2 10 0 5029.26 4570.78 273.11 o 385 1 2 6 10 0 5029.26 4570.78 273.11 o 386 2 6 -2 10 1 513.26 447.46 116.68 o 386 1 2 6 10 1 513.26 447.46 116.68 o 387 2 6 -4 10 -1 1866.31 1582.21 158.32 o 387 1 4 6 10 -1 1866.31 1582.21 158.32 o 388 2 6 -4 10 0 9703.50 9548.28 490.67 o 388 1 4 6 10 0 9703.50 9548.28 490.67 o 389 2 1 -1 11 -1 41.94 49.71 29.42 < 389 1 1 1 11 -1 41.94 49.71 29.42 < 390 2 1 -1 11 0 15406.60 16088.30 356.23 o 390 1 1 1 11 0 15406.60 16088.30 356.23 o 391 2 1 -1 11 1 139.66 174.50 46.67 o 391 1 1 1 11 1 139.66 174.50 46.67 o 392 2 1 -3 11 -1 347.61 424.07 117.68 o 392 1 3 1 11 -1 347.61 424.07 117.68 o 393 2 1 -3 11 0 12417.10 13053.70 641.65 o 393 1 3 1 11 0 12417.10 13053.70 641.65 o 394 2 1 -3 11 1 414.48 464.64 144.06 o 394 1 3 1 11 1 414.48 464.64 144.06 o 395 2 3 -1 11 -1 318.33 308.44 71.02 o 395 1 1 3 11 -1 318.33 308.44 71.02 o 396 2 3 -1 11 0 12407.00 12190.70 348.80 o 396 1 1 3 11 0 12407.00 12190.70 348.80 o 397 2 3 -1 11 1 365.20 429.19 80.16 o 397 1 1 3 11 1 365.20 429.19 80.16 o 398 2 3 -3 11 -1 274.44 248.56 67.97 o 398 1 3 3 11 -1 274.44 248.56 67.97 o 399 2 3 -3 11 0 10121.60 9910.84 597.58 o 399 1 3 3 11 0 10121.60 9910.84 597.58 o 400 2 3 -3 11 1 838.76 879.69 114.65 o 400 1 3 3 11 1 838.76 879.69 114.65 o 401 2 5 -1 11 -1 450.38 441.37 104.51 o 401 1 1 5 11 -1 450.38 441.37 104.51 o 402 2 5 -1 11 0 8298.89 7927.94 302.73 o 402 1 1 5 11 0 8298.89 7927.94 302.73 o 403 2 5 -1 11 1 889.70 947.80 120.76 o 403 1 1 5 11 1 889.70 947.80 120.76 o 404 2 5 -3 11 -1 706.48 627.05 98.42 o 404 1 3 5 11 -1 706.48 627.05 98.42 o 405 2 5 -3 11 0 6886.94 6614.39 265.06 o 405 1 3 5 11 0 6886.94 6614.39 265.06 o 406 2 5 -3 11 1 697.90 643.30 114.66 o 406 1 3 5 11 1 697.90 643.30 114.66 o 407 2 7 -1 11 -1 726.45 634.18 165.40 o 407 1 1 7 11 -1 726.45 634.18 165.40 o 408 2 0 0 12 0 15191.30 16580.70 710.24 o 408 1 0 0 12 0 15191.30 16580.70 710.24 o 409 2 2 -2 12 -1 323.98 367.27 74.06 o 409 1 2 2 12 -1 323.98 367.27 74.06 o 410 2 2 -2 12 0 12290.90 12808.90 348.74 o 410 1 2 2 12 0 12290.90 12808.90 348.74 o 411 2 2 -2 12 1 211.53 243.49 63.92 o 411 1 2 2 12 1 211.53 243.49 63.92 o 412 2 4 0 12 0 10024.60 10207.90 464.41 o 412 1 0 4 12 0 10024.60 10207.90 464.41 o 413 2 4 -2 12 -1 164.61 141.02 65.94 < 413 1 2 4 12 -1 164.61 141.02 65.94 < 414 2 4 -2 12 0 2004.09 1919.04 159.33 o 414 1 2 4 12 0 2004.09 1919.04 159.33 o 415 2 4 -2 12 1 77.36 83.19 49.71 < 415 1 2 4 12 1 77.36 83.19 49.71 < 416 2 4 -4 12 -1 761.77 606.73 70.01 o 416 1 4 4 12 -1 761.77 606.73 70.01 o 417 2 4 -4 12 0 6862.16 6540.94 201.07 o 417 1 4 4 12 0 6862.16 6540.94 201.07 o 418 2 4 -4 12 1 518.95 453.51 68.99 o 418 1 4 4 12 1 518.95 453.51 68.99 o 419 2 6 0 12 0 1591.71 1317.13 212.08 o 419 1 0 6 12 0 1591.71 1317.13 212.08 o 420 2 6 -2 12 -1 834.28 763.07 141.05 o 420 1 2 6 12 -1 834.28 763.07 141.05 o 421 2 6 -2 12 0 5693.73 5553.84 306.63 o 421 1 2 6 12 0 5693.73 5553.84 306.63 o 422 2 1 -1 13 -1 130.65 143.05 50.73 < 422 1 1 1 13 -1 130.65 143.05 50.73 < 423 2 1 -1 13 0 18467.90 20080.40 693.13 o 423 1 1 1 13 0 18467.90 20080.40 693.13 o 424 2 1 -1 13 1 78.89 100.44 53.77 < 424 1 1 1 13 1 78.89 100.44 53.77 < 425 2 1 -3 13 -1 414.56 436.23 155.22 < 425 1 3 1 13 -1 414.56 436.23 155.22 < 426 2 1 -3 13 0 14943.80 16039.80 684.43 o 426 1 3 1 13 0 14943.80 16039.80 684.43 o 427 2 3 -1 13 -1 366.04 379.47 79.14 o 427 1 1 3 13 -1 366.04 379.47 79.14 o 428 2 3 -1 13 0 14941.60 15522.20 405.78 o 428 1 1 3 13 0 14941.60 15522.20 405.78 o 429 2 3 -1 13 1 460.72 499.20 85.23 o 429 1 1 3 13 1 460.72 499.20 85.23 o 430 2 3 -3 13 -1 801.59 790.39 134.94 o 430 1 3 3 13 -1 801.59 790.39 134.94 o 431 2 3 -3 13 0 12197.10 12452.90 359.80 o 431 1 3 3 13 0 12197.10 12452.90 359.80 o 432 2 3 -3 13 1 500.01 529.60 96.38 o 432 1 3 3 13 1 500.01 529.60 96.38 o 433 2 5 -1 13 -1 867.39 751.92 112.64 o 433 1 1 5 13 -1 867.39 751.92 112.64 o 434 2 5 -1 13 0 10000.80 9683.20 327.14 o 434 1 1 5 13 0 10000.80 9683.20 327.14 o 435 2 5 -1 13 1 711.97 736.68 111.62 o 435 1 1 5 13 1 711.97 736.68 111.62 o 436 2 0 0 14 0 2183.15 2301.70 287.20 o 436 1 0 0 14 0 2183.15 2301.70 287.20 o 437 1 2 0 14 -1 96.72 144.06 129.86 < 438 2 0 -2 14 0 9760.42 10769.40 749.86 o 438 1 2 0 14 0 9760.42 10769.40 749.86 o 439 1 2 0 14 1 128.61 156.24 131.89 < 440 2 2 0 14 0 9753.55 10155.80 388.15 o 440 1 0 2 14 0 9753.55 10155.80 388.15 o 441 2 2 -2 14 -1 30.67 38.55 39.57 < 441 1 2 2 14 -1 30.67 38.55 39.57 < 442 2 2 -2 14 0 1967.45 2059.03 139.03 o 442 1 2 2 14 0 1967.45 2059.03 139.03 o 443 2 2 -2 14 1 60.05 85.22 42.61 < 443 1 2 2 14 1 60.05 85.22 42.61 < 444 2 4 0 14 0 1762.10 1578.97 199.91 o 444 1 0 4 14 0 1762.10 1578.97 199.91 o 445 2 4 -2 14 -1 319.90 288.14 77.11 o 445 1 2 4 14 -1 319.90 288.14 77.11 o 446 2 4 -2 14 0 6725.45 7022.07 280.27 o 446 1 2 4 14 0 6725.45 7022.07 280.27 o 447 2 4 -2 14 1 418.25 443.38 90.30 o 447 1 2 4 14 1 418.25 443.38 90.30 o 448 2 1 -1 15 -1 47.90 70.00 62.90 < 448 1 1 1 15 -1 47.90 70.00 62.90 < 449 2 1 -1 15 0 8592.93 9418.68 497.75 o 449 1 1 1 15 0 8592.93 9418.68 497.75 o 450 2 1 -1 15 1 46.44 56.81 63.91 < 450 1 1 1 15 1 46.44 56.81 63.91 < 451 2 1 -3 15 -1 320.70 403.77 151.16 < 451 1 3 1 15 -1 320.70 403.77 151.16 < 452 2 1 -3 15 0 7172.04 8068.42 505.74 o 452 1 3 1 15 0 7172.04 8068.42 505.74 o 453 2 1 -3 15 1 140.12 182.61 113.62 < 453 1 3 1 15 1 140.12 182.61 113.62 < 454 2 3 -1 15 -1 291.31 294.22 75.08 o 454 1 1 3 15 -1 291.31 294.22 75.08 o 455 2 3 -1 15 0 7166.42 7578.01 293.49 o 455 1 1 3 15 0 7166.42 7578.01 293.49 o 456 2 3 -1 15 1 123.28 151.16 57.83 < 456 1 1 3 15 1 123.28 151.16 57.83 < 457 2 3 -3 15 -1 315.77 331.75 140.01 < 457 1 3 3 15 -1 315.77 331.75 140.01 < 458 2 0 0 16 0 14206.10 16019.20 840.71 o 458 1 0 0 16 0 14206.10 16019.20 840.71 o 459 1 2 0 16 -1 50.09 65.94 110.58 < 460 2 0 -2 16 0 5100.12 5579.64 592.89 o 460 1 2 0 16 0 5100.12 5579.64 592.89 o 461 1 2 0 16 1 76.91 124.79 129.86 < 462 2 2 0 16 0 5098.32 5326.87 361.42 o 462 1 0 2 16 0 5098.32 5326.87 361.42 o 463 2 2 -2 16 -1 227.68 273.92 72.03 o 463 1 2 2 16 -1 227.68 273.92 72.03 o 464 2 2 0 0 1 487.53 493.41 49.75 o 465 2 4 0 0 1 3163.18 3052.64 123.04 o 466 2 2 0 2 -1 1055.50 1088.07 70.10 o 467 2 2 0 2 1 643.11 728.00 51.78 o 468 2 4 0 2 -1 819.55 775.53 81.21 o 469 2 4 0 2 1 332.95 354.14 59.87 o 470 2 2 0 4 -1 46.09 57.83 21.31 < 471 2 2 0 4 1 26.87 31.45 18.26 < 472 2 4 0 4 -1 1010.06 1034.44 164.46 o 473 2 4 0 4 1 840.16 885.11 164.43 o 474 2 2 0 6 -1 322.88 337.91 45.66 o 475 2 2 0 6 1 509.14 549.05 53.79 o 476 2 4 0 6 -1 135.76 145.08 120.73 < 477 2 4 0 6 1 383.11 394.72 103.50 o 478 2 6 0 6 -1 1274.45 1085.06 193.87 o 479 2 6 0 6 1 1932.94 2176.78 237.58 o 480 2 2 0 8 -1 184.87 219.15 70.01 o 481 2 2 0 8 1 240.47 242.50 81.17 < 482 2 4 0 8 -1 1561.00 1567.56 197.98 o 483 2 4 0 8 1 1787.70 1943.37 195.96 o 484 2 6 0 8 -1 850.40 721.53 172.52 o 485 2 6 0 8 1 1070.46 1083.90 189.79 o 486 2 4 0 10 -1 536.79 500.26 119.74 o 487 2 4 0 10 1 305.36 338.88 105.52 o 488 2 6 0 10 -1 1930.65 1663.85 234.50 o 489 2 6 0 10 1 1380.38 1313.36 214.16 o 490 2 4 0 12 -1 529.48 542.86 129.88 o 491 2 4 0 12 1 353.42 373.38 110.59 o 492 2 6 0 12 -1 263.11 193.78 116.68 < 493 2 6 0 12 1 140.29 101.45 95.37 < 494 2 2 0 14 -1 84.27 109.57 58.84 < 495 2 2 0 14 1 112.05 120.73 62.90 < 496 2 4 0 14 -1 59.37 67.97 66.96 < 497 2 4 0 14 1 108.47 101.45 77.10 < 498 2 2 0 16 -1 43.64 51.74 55.80 < # start Validation Reply Form #_vrf_SYMM003_I #; # #PROBLEM: _symmetry_space_group_name_H-M is missing # #RESPONSE: This test is not properly performed, because CheckCif cannot #handle superspace models for incommensurate structures. # #; #_vrf_SYMM004_I #; # #PROBLEM: _symmetry_equiv_pos_as_xyz loop is missing. # #RESPONSE: This test is not properly performed, because CheckCif cannot #handle superspace models for incommensurate structures. # #; #_vrf_GEOM003_I #; # #PROBLEM: _geom_bond_distance is missing # #RESPONSE: This alert appears only for 70 K and 20 K and not 250 K data, #because CheckCif cannot handle superspace models for incommensurate structures. # #; # end Validation Reply Form data_III #======================================================================= # 5. CHEMICAL DATA _chemical_name_common EuAl4 _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Al4 Eu1' _chemical_formula_weight 259.9 _chemical_melting_point ? _chemical_compound_source ? #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_ssg_name 'Fmmm(00\g)s00' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3,x4+1/2 3 -x1,x2,-x3,-x4 4 x1,-x2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1,x2,-x3,-x4+1/2 7 x1,-x2,x3,x4 8 -x1,x2,x3,x4+1/2 9 x1,x2+1/2,x3+1/2,x4 10 -x1,-x2+1/2,x3+1/2,x4+1/2 11 -x1,x2+1/2,-x3+1/2,-x4 12 x1,-x2+1/2,-x3+1/2,-x4+1/2 13 -x1,-x2+1/2,-x3+1/2,-x4 14 x1,x2+1/2,-x3+1/2,-x4+1/2 15 x1,-x2+1/2,x3+1/2,x4 16 -x1,x2+1/2,x3+1/2,x4+1/2 17 x1+1/2,x2,x3+1/2,x4 18 -x1+1/2,-x2,x3+1/2,x4+1/2 19 -x1+1/2,x2,-x3+1/2,-x4 20 x1+1/2,-x2,-x3+1/2,-x4+1/2 21 -x1+1/2,-x2,-x3+1/2,-x4 22 x1+1/2,x2,-x3+1/2,-x4+1/2 23 x1+1/2,-x2,x3+1/2,x4 24 -x1+1/2,x2,x3+1/2,x4+1/2 25 x1+1/2,x2+1/2,x3,x4 26 -x1+1/2,-x2+1/2,x3,x4+1/2 27 -x1+1/2,x2+1/2,-x3,-x4 28 x1+1/2,-x2+1/2,-x3,-x4+1/2 29 -x1+1/2,-x2+1/2,-x3,-x4 30 x1+1/2,x2+1/2,-x3,-x4+1/2 31 x1+1/2,-x2+1/2,x3,x4 32 -x1+1/2,x2+1/2,x3,x4+1/2 _cell_length_a 6.1992(4) _cell_length_b 6.2001(4) _cell_length_c 11.1477(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 428.47(4) loop_ _twin_individual_id _twin_individual_mass_fraction_refined _twin_individual_twin_matrix_11 _twin_individual_twin_matrix_12 _twin_individual_twin_matrix_13 _twin_individual_twin_matrix_21 _twin_individual_twin_matrix_22 _twin_individual_twin_matrix_23 _twin_individual_twin_matrix_31 _twin_individual_twin_matrix_32 _twin_individual_twin_matrix_33 1 0.454(4) 1 0 0 0 1 0 0 0 1 2 0.546(4) 0 -1 0 1 0 0 0 0 1 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.000000 0.000000 0.178100 _cell_formula_units_Z 4 _cell_measurement_reflns_used 1000 _cell_measurement_theta_min 1.5 _cell_measurement_theta_max 22 _cell_measurement_temperature 70 _cell_special_details ? _exptl_crystal_density_diffrn 4.0288 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 920 _exptl_absorpt_coefficient_mu 5.909 _exptl_crystal_description irregular _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.02 _exptl_crystal_size_rad ? _exptl_crystal_colour Black _exptl_absorpt_correction_type 'empirical' _exptl_absorpt_process_details 'SADABS, Program for Empirical Absorption Correction of Area Detector Data, G. M. Sheldrick, 1996' _exptl_absorpt_correction_T_min 0.3209 _exptl_absorpt_correction_T_max 0.3732 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist ? ? ? ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 70 _diffrn_source 'synchrotron' _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type 'synchrotron' #_diffrn_radiation_source 'synchrotron' _diffrn_radiation_wavelength 0.5 _diffrn_radiation_monochromator 'Si111 and Si311' _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Huber four-circle diffractometer' _diffrn_detector 'Pilatus CdTe 1M' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method 'area detector with phi scans' _diffrn_measurement_specimen_support 'glass fiber' _diffrn_reflns_number 1402 _diffrn_reflns_theta_min 2.57 _diffrn_reflns_theta_max 21.99 _diffrn_reflns_theta_full 13.49 _diffrn_measured_fraction_theta_max 0.77 _diffrn_measured_fraction_theta_full 0.98 _diffrn_reflns_av_R_equivalents 0.0166 _diffrn_reflns_av_unetI/netI 0.0223 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 4 _diffrn_reflns_limit_l_min -7 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_index_m_1_min -1 _diffrn_reflns_limit_index_m_1_max 1 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe x-ray #======================================================================= # 8. REFINEMENT DATA _refine_special_details ? _reflns_number_total 490 _reflns_number_gt 453 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0220 _refine_ls_wR_factor_gt 0.0242 _refine_ls_R_factor_all 0.0232 _refine_ls_wR_factor_ref 0.0245 _refine_ls_goodness_of_fit_ref 1.09 _refine_ls_goodness_of_fit_gt 1.13 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 490 _refine_ls_number_parameters 18 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0001 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_max 3.58 _refine_diff_density_min -2.40 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 55(10) _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Al 0.0323 0.0251 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Eu -0.5035 2.0178 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group Eu1 Eu 0 0 0 Uani 0.0083(2) 4 2 d . . . Al1 Al 0.25 0.25 0.25 Uani 0.0080(9) 8 2 d . . . Al2 Al 0 0 0.38491(12) Uani 0.0077(8) 8 2 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Eu1 Eu 0.0011(3) 0.0157(5) 0.00813(16) 0 0 0 Al1 Al 0.0080(16) 0.008(2) 0.0079(5) 0 0 0 Al2 Al 0.0034(14) 0.0127(19) 0.0069(6) 0 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _jana_atom_site_Fourier_wave_vector_q1_coeff 1 1 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Eu1x1 Eu1 x 1 Eu1y1 Eu1 y 1 Eu1z1 Eu1 z 1 Al1x1 Al1 x 1 Al1y1 Al1 y 1 Al1z1 Al1 z 1 Al2x1 Al2 x 1 Al2y1 Al2 y 1 Al2z1 Al2 z 1 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Eu1x1 0 -0.01977(8) Eu1y1 0 0 Eu1z1 0 0 Al1x1 0 -0.0199(4) Al1y1 -0.0100(4) 0 Al1z1 0 0 Al2x1 -0.0093(3) -0.0206(3) Al2y1 0 0 Al2z1 0 0 #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_ssg_symmetry_1 _geom_bond_site_ssg_symmetry_2 _geom_bond_distance_av _geom_bond_distance_min _geom_bond_distance_max _geom_bond_publ_flag Eu1 Eu1 . 25_4455 4.3838(6) 4.3838(8) 4.3838(8) ? Eu1 Eu1 . 25_4555 4.3838(6) 4.3838(8) 4.3838(8) ? Eu1 Eu1 . 25_5455 4.3838(6) 4.3838(8) 4.3838(8) ? Eu1 Eu1 . 25_5555 4.3838(6) 4.3838(8) 4.3838(8) ? Eu1 Al1 . . 3.5454(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 9_5445 3.5463(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 17_4545 3.5454(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 25_4455 3.5463(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 5_5555 3.5454(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 13_5555 3.5463(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 21_5555 3.5454(9) 3.5041(11) 3.5881(11) ? Eu1 Al1 . 29_5555 3.5463(9) 3.5041(11) 3.5881(11) ? Eu1 Al2 . . 4.2916(14) 4.2909(14) 4.2923(14) ? Eu1 Al2 . 9_5445 3.3552(5) 3.3551(5) 3.3553(5) ? Eu1 Al2 . 9_5545 3.3552(5) 3.3551(5) 3.3553(5) ? Eu1 Al2 . 17_4545 3.355(2) 3.316(2) 3.394(2) ? Eu1 Al2 . 17_5545 3.354(2) 3.316(2) 3.394(2) ? Eu1 Al2 . 3_5555 4.2916(14) 4.2909(14) 4.2923(14) ? Eu1 Al2 . 11_5455 3.3552(5) 3.3551(5) 3.3553(5) ? Eu1 Al2 . 11_5555 3.3552(5) 3.3551(5) 3.3553(5) ? Eu1 Al2 . 19_4555 3.354(2) 3.316(2) 3.394(2) ? Eu1 Al2 . 19_5555 3.355(2) 3.316(2) 3.394(2) ? Al1 Al1 . 25_4455 4.384(2) 4.384(2) 4.384(2) ? Al1 Al1 . 25_4555 4.384(2) 4.384(2) 4.384(2) ? Al1 Al1 . 25_5455 4.384(2) 4.384(2) 4.384(2) ? Al1 Al1 . 25_5555 4.384(2) 4.384(2) 4.384(2) ? Al1 Al1 . 13_5555 3.1009(19) 3.100(3) 3.102(3) ? Al1 Al1 . 13_6555 3.1009(19) 3.100(3) 3.102(3) ? Al1 Al1 . 21_5555 3.0989(17) 2.976(3) 3.224(3) ? Al1 Al1 . 21_5655 3.1012(17) 2.976(3) 3.224(3) ? Al1 Al2 . . 2.6592(18) 2.6508(19) 2.6687(19) ? Al1 Al2 . 25_5555 2.6591(18) 2.6508(19) 2.6687(19) ? Al1 Al2 . 11_5555 2.6591(18) 2.6508(19) 2.6687(19) ? Al1 Al2 . 19_5555 2.6592(18) 2.6508(19) 2.6687(19) ? Al2 Al2 . 25_4455 4.384(2) 4.384(2) 4.384(2) ? Al2 Al2 . 25_4555 4.384(2) 4.384(2) 4.384(2) ? Al2 Al2 . 25_5455 4.384(2) 4.384(2) 4.384(2) ? Al2 Al2 . 25_5555 4.384(2) 4.384(2) 4.384(2) ? Al2 Al2 . 3_5565 2.5666(19) 2.5660(19) 2.5673(19) ? Al2 Al2 . 11_5455 4.3208(13) 4.3194(13) 4.3221(13) ? Al2 Al2 . 11_5555 4.3208(13) 4.3194(13) 4.3221(13) ? Al2 Al2 . 19_4555 4.319(2) 4.211(3) 4.429(3) ? Al2 Al2 . 19_5555 4.321(2) 4.211(3) 4.429(3) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_ssg_symmetry_1 _geom_angle_site_ssg_symmetry_2 _geom_angle_site_ssg_symmetry_3 _geom_angle_av _geom_angle_min _geom_angle_max _geom_angle_publ_flag Eu1 Eu1 Eu1 25_4455 . 25_4555 90.008(9) 90.008(7) 90.008(7) ? Eu1 Eu1 Eu1 25_4455 . 25_5455 89.992(8) 89.992(7) 89.992(7) ? Eu1 Eu1 Eu1 25_4455 . 25_5555 180 180 180 ? Eu1 Eu1 Al1 25_4455 . . 128.17(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_4455 . 9_5445 89.99(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4455 . 17_4545 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4455 . 25_4455 51.81(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_4455 . 5_5555 51.83(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_4455 . 13_5555 90.01(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4455 . 21_5555 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4455 . 29_5555 128.19(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al2 25_4455 . . 89.990(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_4455 . 9_5445 49.19(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_4455 . 9_5545 130.79(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_4455 . 17_4545 49.209(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al2 25_4455 . 17_5545 130.789(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Al2 25_4455 . 3_5555 90.010(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_4455 . 11_5455 49.21(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_4455 . 11_5555 130.81(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_4455 . 19_4555 49.211(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al2 25_4455 . 19_5555 130.791(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Eu1 25_4555 . 25_5455 180 180 180 ? Eu1 Eu1 Eu1 25_4555 . 25_5555 89.992(8) 89.992(7) 89.992(7) ? Eu1 Eu1 Al1 25_4555 . . 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4555 . 9_5445 128.19(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_4555 . 17_4545 51.83(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_4555 . 25_4455 90.01(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4555 . 5_5555 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_4555 . 13_5555 51.81(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_4555 . 21_5555 128.17(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_4555 . 29_5555 89.99(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al2 25_4555 . . 89.990(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_4555 . 9_5445 130.79(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_4555 . 9_5545 49.19(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_4555 . 17_4545 49.209(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al2 25_4555 . 17_5545 130.789(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Al2 25_4555 . 3_5555 90.010(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_4555 . 11_5455 130.81(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_4555 . 11_5555 49.21(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_4555 . 19_4555 49.211(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al2 25_4555 . 19_5555 130.791(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Eu1 25_5455 . 25_5555 90.008(9) 90.008(7) 90.008(7) ? Eu1 Eu1 Al1 25_5455 . . 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5455 . 9_5445 51.81(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_5455 . 17_4545 128.17(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_5455 . 25_4455 89.99(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5455 . 5_5555 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5455 . 13_5555 128.19(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_5455 . 21_5555 51.83(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_5455 . 29_5555 90.01(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al2 25_5455 . . 90.010(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_5455 . 9_5445 49.21(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_5455 . 9_5545 130.81(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_5455 . 17_4545 130.791(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Al2 25_5455 . 17_5545 49.211(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al2 25_5455 . 3_5555 89.990(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_5455 . 11_5455 49.19(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_5455 . 11_5555 130.79(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_5455 . 19_4555 130.789(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Al2 25_5455 . 19_5555 49.209(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al1 25_5555 . . 51.83(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al1 25_5555 . 9_5445 90.01(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5555 . 17_4545 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5555 . 25_4455 128.19(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_5555 . 5_5555 128.17(2) 127.31(2) 129.04(2) ? Eu1 Eu1 Al1 25_5555 . 13_5555 89.99(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5555 . 21_5555 90.00(3) 89.67(3) 90.33(3) ? Eu1 Eu1 Al1 25_5555 . 29_5555 51.81(2) 50.96(2) 52.69(2) ? Eu1 Eu1 Al2 25_5555 . . 90.010(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_5555 . 9_5445 130.81(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_5555 . 9_5545 49.21(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_5555 . 17_4545 130.791(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Al2 25_5555 . 17_5545 49.211(10) 49.112(9) 49.309(10) ? Eu1 Eu1 Al2 25_5555 . 3_5555 89.990(19) 88.963(19) 91.037(19) ? Eu1 Eu1 Al2 25_5555 . 11_5455 130.79(3) 130.13(3) 131.47(3) ? Eu1 Eu1 Al2 25_5555 . 11_5555 49.19(3) 48.53(3) 49.87(3) ? Eu1 Eu1 Al2 25_5555 . 19_4555 130.789(10) 130.691(10) 130.888(9) ? Eu1 Eu1 Al2 25_5555 . 19_5555 49.209(10) 49.112(9) 49.309(10) ? Al1 Eu1 Al1 . . 9_5445 128.15(4) 128.14(3) 128.17(5) ? Al1 Eu1 Al1 . . 17_4545 128.18(2) 126.67(3) 129.67(3) ? Al1 Eu1 Al1 . . 25_4455 76.36(3) 76.35(3) 76.37(3) ? Al1 Eu1 Al1 . . 5_5555 179.698(13) 179.515(3) 180 ? Al1 Eu1 Al1 . . 13_5555 51.85(4) 51.84(5) 51.86(3) ? Al1 Eu1 Al1 . . 21_5555 51.82(2) 50.25(4) 53.40(3) ? Al1 Eu1 Al1 . . 29_5555 103.64(3) 103.26(3) 104.01(3) ? Al1 Eu1 Al2 . . . 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 . . 9_5445 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 . . 9_5545 84.08(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 . . 17_4545 134.78(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al2 . . 17_5545 84.09(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al2 . . 3_5555 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 . . 11_5455 95.92(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 . . 11_5555 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 . . 19_4555 95.91(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al2 . . 19_5555 45.22(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al1 9_5445 . 17_4545 76.36(3) 76.35(3) 76.37(3) ? Al1 Eu1 Al1 9_5445 . 25_4455 128.15(2) 126.67(3) 129.67(3) ? Al1 Eu1 Al1 9_5445 . 5_5555 51.85(4) 51.84(5) 51.86(3) ? Al1 Eu1 Al1 9_5445 . 13_5555 179.698(13) 179.515(3) 180 ? Al1 Eu1 Al1 9_5445 . 21_5555 103.64(3) 103.26(3) 104.01(3) ? Al1 Eu1 Al1 9_5445 . 29_5555 51.85(2) 50.25(4) 53.40(3) ? Al1 Eu1 Al2 9_5445 . . 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 9_5445 . 9_5445 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 9_5445 . 9_5545 95.94(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 9_5445 . 17_4545 95.93(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al2 9_5445 . 17_5545 45.21(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 9_5445 . 3_5555 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 9_5445 . 11_5455 84.06(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 9_5445 . 11_5555 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 9_5445 . 19_4555 134.79(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al2 9_5445 . 19_5555 84.07(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al1 17_4545 . 25_4455 128.15(4) 128.14(3) 128.17(5) ? Al1 Eu1 Al1 17_4545 . 5_5555 51.82(2) 50.25(4) 53.40(3) ? Al1 Eu1 Al1 17_4545 . 13_5555 103.64(3) 103.26(3) 104.01(3) ? Al1 Eu1 Al1 17_4545 . 21_5555 179.698(13) 179.515(3) 180 ? Al1 Eu1 Al1 17_4545 . 29_5555 51.85(4) 51.84(5) 51.86(3) ? Al1 Eu1 Al2 17_4545 . . 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 17_4545 . 9_5445 95.92(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 17_4545 . 9_5545 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 17_4545 . 17_4545 45.22(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 17_4545 . 17_5545 95.91(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al2 17_4545 . 3_5555 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 17_4545 . 11_5455 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 17_4545 . 11_5555 84.08(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 17_4545 . 19_4555 84.09(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al2 17_4545 . 19_5555 134.78(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al1 25_4455 . 5_5555 103.64(3) 103.26(3) 104.01(3) ? Al1 Eu1 Al1 25_4455 . 13_5555 51.85(2) 50.25(4) 53.40(3) ? Al1 Eu1 Al1 25_4455 . 21_5555 51.85(4) 51.84(5) 51.86(3) ? Al1 Eu1 Al1 25_4455 . 29_5555 179.698(13) 179.515(3) 180 ? Al1 Eu1 Al2 25_4455 . . 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 25_4455 . 9_5445 84.06(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 25_4455 . 9_5545 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 25_4455 . 17_4545 84.07(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al2 25_4455 . 17_5545 134.79(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al2 25_4455 . 3_5555 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 25_4455 . 11_5455 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 25_4455 . 11_5555 95.94(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 25_4455 . 19_4555 45.21(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 25_4455 . 19_5555 95.93(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al1 5_5555 . 13_5555 128.15(4) 128.14(3) 128.17(5) ? Al1 Eu1 Al1 5_5555 . 21_5555 128.18(2) 126.67(3) 129.67(3) ? Al1 Eu1 Al1 5_5555 . 29_5555 76.36(3) 76.35(3) 76.37(3) ? Al1 Eu1 Al2 5_5555 . . 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 5_5555 . 9_5445 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 5_5555 . 9_5545 95.92(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 5_5555 . 17_4545 45.22(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 5_5555 . 17_5545 95.91(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al2 5_5555 . 3_5555 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 5_5555 . 11_5455 84.08(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 5_5555 . 11_5555 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 5_5555 . 19_4555 84.09(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al2 5_5555 . 19_5555 134.78(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al1 13_5555 . 21_5555 76.36(3) 76.35(3) 76.37(3) ? Al1 Eu1 Al1 13_5555 . 29_5555 128.15(2) 126.67(3) 129.67(3) ? Al1 Eu1 Al2 13_5555 . . 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 13_5555 . 9_5445 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 13_5555 . 9_5545 84.06(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 13_5555 . 17_4545 84.07(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al2 13_5555 . 17_5545 134.79(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al2 13_5555 . 3_5555 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 13_5555 . 11_5455 95.94(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 13_5555 . 11_5555 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 13_5555 . 19_4555 45.21(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 13_5555 . 19_5555 95.93(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al1 21_5555 . 29_5555 128.15(4) 128.14(3) 128.17(5) ? Al1 Eu1 Al2 21_5555 . . 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 21_5555 . 9_5445 84.08(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 21_5555 . 9_5545 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 21_5555 . 17_4545 134.78(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al2 21_5555 . 17_5545 84.09(3) 83.40(2) 84.77(2) ? Al1 Eu1 Al2 21_5555 . 3_5555 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 21_5555 . 11_5455 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 21_5555 . 11_5555 95.92(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 21_5555 . 19_4555 95.91(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al2 21_5555 . 19_5555 45.22(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 29_5555 . . 141.81(3) 141.31(3) 142.31(3) ? Al1 Eu1 Al2 29_5555 . 9_5445 95.94(3) 94.75(4) 97.10(4) ? Al1 Eu1 Al2 29_5555 . 9_5545 45.22(3) 45.04(4) 45.43(4) ? Al1 Eu1 Al2 29_5555 . 17_4545 95.93(3) 95.23(2) 96.61(2) ? Al1 Eu1 Al2 29_5555 . 17_5545 45.21(3) 44.95(2) 45.49(2) ? Al1 Eu1 Al2 29_5555 . 3_5555 38.19(3) 38.01(3) 38.38(3) ? Al1 Eu1 Al2 29_5555 . 11_5455 134.78(4) 134.41(3) 135.16(3) ? Al1 Eu1 Al2 29_5555 . 11_5555 84.06(3) 82.93(4) 85.22(4) ? Al1 Eu1 Al2 29_5555 . 19_4555 134.79(3) 134.49(3) 135.08(3) ? Al1 Eu1 Al2 29_5555 . 19_5555 84.07(3) 83.40(2) 84.77(2) ? Al2 Eu1 Al2 . . 9_5445 112.47(2) 112.46(2) 112.48(2) ? Al2 Eu1 Al2 . . 9_5545 112.47(2) 112.46(2) 112.48(2) ? Al2 Eu1 Al2 . . 17_4545 112.47(4) 110.78(3) 114.20(4) ? Al2 Eu1 Al2 . . 17_5545 112.50(4) 110.78(3) 114.20(4) ? Al2 Eu1 Al2 . . 3_5555 179.49(4) 179.18(4) 180 ? Al2 Eu1 Al2 . . 11_5455 67.53(2) 67.52(2) 67.55(2) ? Al2 Eu1 Al2 . . 11_5555 67.53(2) 67.52(2) 67.55(2) ? Al2 Eu1 Al2 . . 19_4555 67.50(4) 65.77(4) 69.25(3) ? Al2 Eu1 Al2 . . 19_5555 67.53(4) 65.77(4) 69.25(3) ? Al2 Eu1 Al2 9_5445 . 9_5545 135.02(3) 135.01(3) 135.03(3) ? Al2 Eu1 Al2 9_5445 . 17_4545 81.58(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 9_5445 . 17_5545 81.59(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 9_5445 . 3_5555 67.53(2) 67.52(2) 67.55(2) ? Al2 Eu1 Al2 9_5445 . 11_5455 44.98(3) 44.97(3) 44.99(3) ? Al2 Eu1 Al2 9_5445 . 11_5555 179.76(4) 179.61(5) 180 ? Al2 Eu1 Al2 9_5445 . 19_4555 98.41(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 9_5445 . 19_5555 98.42(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 9_5545 . 17_4545 81.58(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 9_5545 . 17_5545 81.59(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 9_5545 . 3_5555 67.53(2) 67.52(2) 67.55(2) ? Al2 Eu1 Al2 9_5545 . 11_5455 179.76(4) 179.61(5) 180 ? Al2 Eu1 Al2 9_5545 . 11_5555 44.98(3) 44.97(3) 44.99(3) ? Al2 Eu1 Al2 9_5545 . 19_4555 98.41(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 9_5545 . 19_5555 98.42(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 17_4545 . 17_5545 135.03(4) 135.02(4) 135.03(4) ? Al2 Eu1 Al2 17_4545 . 3_5555 67.53(4) 65.77(4) 69.25(4) ? Al2 Eu1 Al2 17_4545 . 11_5455 98.42(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 17_4545 . 11_5555 98.42(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 17_4545 . 19_4555 44.97(4) 44.82(4) 45.12(4) ? Al2 Eu1 Al2 17_4545 . 19_5555 179.92(2) 179.85(4) 180 ? Al2 Eu1 Al2 17_5545 . 3_5555 67.50(4) 65.77(4) 69.25(4) ? Al2 Eu1 Al2 17_5545 . 11_5455 98.41(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 17_5545 . 11_5555 98.41(3) 97.82(3) 99.00(3) ? Al2 Eu1 Al2 17_5545 . 19_4555 179.92(2) 179.85(4) 180 ? Al2 Eu1 Al2 17_5545 . 19_5555 44.97(4) 44.82(4) 45.12(4) ? Al2 Eu1 Al2 3_5555 . 11_5455 112.47(2) 112.46(2) 112.48(2) ? Al2 Eu1 Al2 3_5555 . 11_5555 112.47(2) 112.46(2) 112.48(2) ? Al2 Eu1 Al2 3_5555 . 19_4555 112.50(4) 110.78(3) 114.20(4) ? Al2 Eu1 Al2 3_5555 . 19_5555 112.47(4) 110.78(3) 114.20(4) ? Al2 Eu1 Al2 11_5455 . 11_5555 135.02(3) 135.01(3) 135.03(3) ? Al2 Eu1 Al2 11_5455 . 19_4555 81.59(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 11_5455 . 19_5555 81.58(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 11_5555 . 19_4555 81.59(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 11_5555 . 19_5555 81.58(3) 81.01(3) 82.16(3) ? Al2 Eu1 Al2 19_4555 . 19_5555 135.03(4) 135.02(4) 135.03(4) ? Eu1 Al1 Eu1 . . 9_5555 128.15(3) 127.99(7) 128.33(7) ? Eu1 Al1 Eu1 . . 17_5555 128.18(3) 126.60(7) 129.75(7) ? Eu1 Al1 Eu1 . . 25_5555 76.359(6) 76.348(6) 76.370(7) ? Eu1 Al1 Al1 . . 25_4455 51.829(18) 50.96(2) 52.69(2) ? Eu1 Al1 Al1 . . 25_4555 90.00(3) 89.671(19) 90.331(18) ? Eu1 Al1 Al1 . . 25_5455 90.00(3) 89.67(4) 90.33(4) ? Eu1 Al1 Al1 . . 25_5555 128.171(18) 127.31(2) 129.04(2) ? Eu1 Al1 Al1 . . 13_5555 64.09(2) 62.675(14) 65.466(12) ? Eu1 Al1 Al1 . . 13_6555 115.90(3) 115.02(3) 116.70(3) ? Eu1 Al1 Al1 . . 21_5555 64.09(3) 63.30(4) 64.87(4) ? Eu1 Al1 Al1 . . 21_5655 115.91(3) 115.13(4) 116.70(4) ? Eu1 Al1 Al2 . . . 86.28(5) 85.52(5) 87.02(5) ? Eu1 Al1 Al2 . . 25_5555 162.54(5) 161.72(6) 163.22(4) ? Eu1 Al1 Al2 . . 11_5555 63.60(3) 62.85(2) 64.32(2) ? Eu1 Al1 Al2 . . 19_5555 63.60(4) 62.07(5) 65.07(5) ? Eu1 Al1 Eu1 9_5555 . 17_5555 76.359(6) 76.348(6) 76.370(7) ? Eu1 Al1 Eu1 9_5555 . 25_5555 128.15(3) 126.60(7) 129.75(7) ? Eu1 Al1 Al1 9_5555 . 25_4455 90.01(3) 89.671(19) 90.331(18) ? Eu1 Al1 Al1 9_5555 . 25_4555 51.813(18) 50.96(2) 52.69(2) ? Eu1 Al1 Al1 9_5555 . 25_5455 128.187(18) 127.31(2) 129.04(2) ? Eu1 Al1 Al1 9_5555 . 25_5555 89.99(3) 89.67(4) 90.33(4) ? Eu1 Al1 Al1 9_5555 . 13_5555 64.06(2) 62.675(14) 65.466(12) ? Eu1 Al1 Al1 9_5555 . 13_6555 115.88(3) 115.02(3) 116.70(3) ? Eu1 Al1 Al1 9_5555 . 21_5555 115.93(3) 115.13(4) 116.70(4) ? Eu1 Al1 Al1 9_5555 . 21_5655 64.07(3) 63.30(4) 64.87(4) ? Eu1 Al1 Al2 9_5555 . . 63.59(3) 62.85(2) 64.32(2) ? Eu1 Al1 Al2 9_5555 . 25_5555 63.57(4) 62.07(5) 65.07(5) ? Eu1 Al1 Al2 9_5555 . 11_5555 86.26(5) 85.52(5) 87.02(5) ? Eu1 Al1 Al2 9_5555 . 19_5555 162.56(5) 161.73(6) 163.22(4) ? Eu1 Al1 Eu1 17_5555 . 25_5555 128.15(3) 127.99(7) 128.33(7) ? Eu1 Al1 Al1 17_5555 . 25_4455 90.00(3) 89.67(4) 90.33(4) ? Eu1 Al1 Al1 17_5555 . 25_4555 128.171(18) 127.31(2) 129.04(2) ? Eu1 Al1 Al1 17_5555 . 25_5455 51.829(18) 50.96(2) 52.69(2) ? Eu1 Al1 Al1 17_5555 . 25_5555 90.00(3) 89.671(19) 90.331(18) ? Eu1 Al1 Al1 17_5555 . 13_5555 115.90(3) 115.02(3) 116.70(3) ? Eu1 Al1 Al1 17_5555 . 13_6555 64.09(2) 62.675(14) 65.466(12) ? Eu1 Al1 Al1 17_5555 . 21_5555 64.09(3) 63.30(4) 64.87(4) ? Eu1 Al1 Al1 17_5555 . 21_5655 115.91(3) 115.13(4) 116.70(4) ? Eu1 Al1 Al2 17_5555 . . 63.60(4) 62.07(5) 65.07(5) ? Eu1 Al1 Al2 17_5555 . 25_5555 63.60(3) 62.85(2) 64.32(2) ? Eu1 Al1 Al2 17_5555 . 11_5555 162.54(5) 161.73(6) 163.22(4) ? Eu1 Al1 Al2 17_5555 . 19_5555 86.28(5) 85.52(5) 87.02(5) ? Eu1 Al1 Al1 25_5555 . 25_4455 128.188(18) 127.31(2) 129.04(2) ? Eu1 Al1 Al1 25_5555 . 25_4555 89.99(3) 89.67(4) 90.33(4) ? Eu1 Al1 Al1 25_5555 . 25_5455 90.01(3) 89.671(19) 90.331(18) ? Eu1 Al1 Al1 25_5555 . 25_5555 51.812(18) 50.96(2) 52.69(2) ? Eu1 Al1 Al1 25_5555 . 13_5555 115.88(3) 115.02(3) 116.70(3) ? Eu1 Al1 Al1 25_5555 . 13_6555 64.06(2) 62.675(14) 65.466(12) ? Eu1 Al1 Al1 25_5555 . 21_5555 115.93(3) 115.13(4) 116.70(4) ? Eu1 Al1 Al1 25_5555 . 21_5655 64.07(3) 63.30(4) 64.87(4) ? Eu1 Al1 Al2 25_5555 . . 162.56(5) 161.72(6) 163.22(4) ? Eu1 Al1 Al2 25_5555 . 25_5555 86.26(5) 85.52(5) 87.02(5) ? Eu1 Al1 Al2 25_5555 . 11_5555 63.57(4) 62.07(5) 65.07(5) ? Eu1 Al1 Al2 25_5555 . 19_5555 63.59(3) 62.85(2) 64.32(2) ? Al1 Al1 Al1 25_4455 . 25_4555 90.01(4) 90.01(3) 90.01(3) ? Al1 Al1 Al1 25_4455 . 25_5455 89.99(4) 89.99(5) 89.99(5) ? Al1 Al1 Al1 25_4455 . 25_5555 180 180 180 ? Al1 Al1 Al1 25_4455 . 13_5555 45.03(3) 42.71(3) 47.30(3) ? Al1 Al1 Al1 25_4455 . 13_6555 135.02(4) 132.70(7) 137.29(7) ? Al1 Al1 Al1 25_4455 . 21_5555 45.00(5) 45.00(5) 45.00(5) ? Al1 Al1 Al1 25_4455 . 21_5655 135.00(6) 135.00(5) 135.00(5) ? Al1 Al1 Al2 25_4455 . . 34.48(3) 34.36(3) 34.64(4) ? Al1 Al1 Al2 25_4455 . 25_5555 145.52(3) 145.36(3) 145.64(3) ? Al1 Al1 Al2 25_4455 . 11_5555 90.03(5) 87.91(4) 92.12(4) ? Al1 Al1 Al2 25_4455 . 19_5555 90.01(5) 87.88(6) 92.09(6) ? Al1 Al1 Al1 25_4555 . 25_5455 180 180 180 ? Al1 Al1 Al1 25_4555 . 25_5555 89.99(4) 89.99(5) 89.99(5) ? Al1 Al1 Al1 25_4555 . 13_5555 44.98(3) 42.71(3) 47.30(3) ? Al1 Al1 Al1 25_4555 . 13_6555 134.97(4) 132.70(7) 137.29(7) ? Al1 Al1 Al1 25_4555 . 21_5555 135.00(6) 135.00(5) 135.00(5) ? Al1 Al1 Al1 25_4555 . 21_5655 45.00(5) 45.00(5) 45.00(5) ? Al1 Al1 Al2 25_4555 . . 89.99(5) 87.91(4) 92.12(4) ? Al1 Al1 Al2 25_4555 . 25_5555 89.97(5) 87.88(6) 92.09(6) ? Al1 Al1 Al2 25_4555 . 11_5555 34.49(3) 34.36(3) 34.64(4) ? Al1 Al1 Al2 25_4555 . 19_5555 145.52(3) 145.36(3) 145.64(3) ? Al1 Al1 Al1 25_5455 . 25_5555 90.01(4) 90.01(3) 90.01(3) ? Al1 Al1 Al1 25_5455 . 13_5555 135.02(4) 132.70(7) 137.29(7) ? Al1 Al1 Al1 25_5455 . 13_6555 45.03(3) 42.71(3) 47.30(3) ? Al1 Al1 Al1 25_5455 . 21_5555 45.00(5) 45.00(5) 45.00(5) ? Al1 Al1 Al1 25_5455 . 21_5655 135.00(6) 135.00(5) 135.00(5) ? Al1 Al1 Al2 25_5455 . . 90.01(5) 87.88(6) 92.09(6) ? Al1 Al1 Al2 25_5455 . 25_5555 90.03(5) 87.91(4) 92.12(4) ? Al1 Al1 Al2 25_5455 . 11_5555 145.51(3) 145.36(3) 145.64(3) ? Al1 Al1 Al2 25_5455 . 19_5555 34.48(3) 34.36(3) 34.64(4) ? Al1 Al1 Al1 25_5555 . 13_5555 134.97(4) 132.70(7) 137.29(7) ? Al1 Al1 Al1 25_5555 . 13_6555 44.98(3) 42.71(3) 47.30(3) ? Al1 Al1 Al1 25_5555 . 21_5555 135.00(6) 135.00(5) 135.00(5) ? Al1 Al1 Al1 25_5555 . 21_5655 45.00(5) 45.00(5) 45.00(5) ? Al1 Al1 Al2 25_5555 . . 145.52(3) 145.36(3) 145.64(3) ? Al1 Al1 Al2 25_5555 . 25_5555 34.48(3) 34.36(3) 34.64(4) ? Al1 Al1 Al2 25_5555 . 11_5555 89.97(5) 87.88(6) 92.09(6) ? Al1 Al1 Al2 25_5555 . 19_5555 89.99(5) 87.91(4) 92.12(4) ? Al1 Al1 Al1 13_5555 . 13_6555 177.06(5) 175.41(10) 179.87029(10) ? Al1 Al1 Al1 13_5555 . 21_5555 90.02(6) 87.71(7) 92.29(7) ? Al1 Al1 Al1 13_5555 . 21_5655 89.98(6) 87.71(7) 92.29(7) ? Al1 Al1 Al2 13_5555 . . 54.33(5) 54.07(5) 54.60(5) ? Al1 Al1 Al2 13_5555 . 25_5555 125.60(6) 122.07(7) 129.14(7) ? Al1 Al1 Al2 13_5555 . 11_5555 54.34(5) 54.07(5) 54.60(5) ? Al1 Al1 Al2 13_5555 . 19_5555 125.67(6) 122.07(7) 129.14(7) ? Al1 Al1 Al1 13_6555 . 21_5555 90.02(6) 87.71(7) 92.29(7) ? Al1 Al1 Al1 13_6555 . 21_5655 89.98(6) 87.71(7) 92.29(7) ? Al1 Al1 Al2 13_6555 . . 125.67(6) 122.07(7) 129.14(7) ? Al1 Al1 Al2 13_6555 . 25_5555 54.34(5) 54.07(5) 54.60(5) ? Al1 Al1 Al2 13_6555 . 11_5555 125.60(6) 122.07(7) 129.14(7) ? Al1 Al1 Al2 13_6555 . 19_5555 54.33(5) 54.07(5) 54.60(5) ? Al1 Al1 Al1 21_5555 . 21_5655 180 180 180 ? Al1 Al1 Al2 21_5555 . . 54.35(4) 52.56(5) 56.11(5) ? Al1 Al1 Al2 21_5555 . 25_5555 125.68(5) 123.89(5) 127.44(5) ? Al1 Al1 Al2 21_5555 . 11_5555 125.68(5) 123.89(5) 127.44(5) ? Al1 Al1 Al2 21_5555 . 19_5555 54.35(4) 52.56(5) 56.11(5) ? Al1 Al1 Al2 21_5655 . . 125.65(5) 123.89(5) 127.44(5) ? Al1 Al1 Al2 21_5655 . 25_5555 54.32(4) 52.56(5) 56.11(5) ? Al1 Al1 Al2 21_5655 . 11_5555 54.32(4) 52.56(5) 56.11(5) ? Al1 Al1 Al2 21_5655 . 19_5555 125.65(5) 123.89(5) 127.44(5) ? Al2 Al1 Al2 . . 25_5555 111.03(4) 110.98(4) 111.09(4) ? Al2 Al1 Al2 . . 11_5555 108.67(7) 108.46(9) 108.89(9) ? Al2 Al1 Al2 . . 19_5555 108.70(6) 105.12(9) 112.21(9) ? Al2 Al1 Al2 25_5555 . 11_5555 108.63(5) 105.12(9) 112.21(9) ? Al2 Al1 Al2 25_5555 . 19_5555 108.67(7) 108.46(9) 108.89(9) ? Al2 Al1 Al2 11_5555 . 19_5555 111.03(4) 110.98(4) 111.09(4) ? Eu1 Al2 Eu1 . . 9_5455 112.47(2) 112.45(2) 112.48(2) ? Eu1 Al2 Eu1 . . 9_5555 112.47(2) 112.45(2) 112.48(2) ? Eu1 Al2 Eu1 . . 17_4555 112.50(4) 110.75(4) 114.23(4) ? Eu1 Al2 Eu1 . . 17_5555 112.47(4) 110.75(4) 114.23(4) ? Eu1 Al2 Al1 . . . 55.53(3) 54.61(3) 56.45(3) ? Eu1 Al2 Al1 . . 25_4455 55.55(3) 54.61(3) 56.45(3) ? Eu1 Al2 Al1 . . 13_5555 55.55(3) 54.61(3) 56.45(3) ? Eu1 Al2 Al1 . . 21_5555 55.53(3) 54.61(3) 56.45(3) ? Eu1 Al2 Al2 . . 25_4455 90.01(3) 88.96(3) 91.04(3) ? Eu1 Al2 Al2 . . 25_4555 90.01(3) 88.96(3) 91.04(3) ? Eu1 Al2 Al2 . . 25_5455 89.99(3) 88.96(3) 91.04(3) ? Eu1 Al2 Al2 . . 25_5555 89.99(3) 88.96(3) 91.04(3) ? Eu1 Al2 Al2 . . 3_5565 177.92(8) 176.75(8) 180 ? Eu1 Al2 Al2 . . 11_5455 45.855(18) 45.846(18) 45.865(18) ? Eu1 Al2 Al2 . . 11_5555 45.855(18) 45.846(18) 45.865(18) ? Eu1 Al2 Al2 . . 19_4555 45.84(3) 45.76(3) 45.89(3) ? Eu1 Al2 Al2 . . 19_5555 45.84(3) 45.76(3) 45.89(3) ? Eu1 Al2 Eu1 9_5455 . 9_5555 135.02(4) 135.01(4) 135.03(4) ? Eu1 Al2 Eu1 9_5455 . 17_4555 81.59(3) 81.01(3) 82.16(3) ? Eu1 Al2 Eu1 9_5455 . 17_5555 81.58(3) 81.01(3) 82.16(3) ? Eu1 Al2 Al1 9_5455 . . 139.01(7) 136.31(6) 141.77(6) ? Eu1 Al2 Al1 9_5455 . 25_4455 71.175(16) 70.255(15) 72.100(16) ? Eu1 Al2 Al1 9_5455 . 13_5555 139.06(7) 136.31(6) 141.77(6) ? Eu1 Al2 Al1 9_5455 . 21_5555 71.192(16) 70.255(15) 72.100(16) ? Eu1 Al2 Al2 9_5455 . 25_4455 49.21(2) 48.53(2) 49.87(2) ? Eu1 Al2 Al2 9_5455 . 25_4555 130.81(5) 130.13(5) 131.47(5) ? Eu1 Al2 Al2 9_5455 . 25_5455 49.19(2) 48.53(2) 49.87(2) ? Eu1 Al2 Al2 9_5455 . 25_5555 130.79(5) 130.13(5) 131.47(5) ? Eu1 Al2 Al2 9_5455 . 3_5565 67.51(2) 67.51(2) 67.52(2) ? Eu1 Al2 Al2 9_5455 . 11_5455 66.613(16) 66.608(16) 66.618(16) ? Eu1 Al2 Al2 9_5455 . 11_5555 158.26(4) 158.18(4) 158.35(4) ? Eu1 Al2 Al2 9_5455 . 19_4555 105.45(3) 104.50(3) 106.37(3) ? Eu1 Al2 Al2 9_5455 . 19_5555 105.43(3) 104.50(3) 106.37(3) ? Eu1 Al2 Eu1 9_5555 . 17_4555 81.59(3) 81.01(3) 82.16(3) ? Eu1 Al2 Eu1 9_5555 . 17_5555 81.58(3) 81.01(3) 82.16(3) ? Eu1 Al2 Al1 9_5555 . . 71.192(16) 70.255(15) 72.100(16) ? Eu1 Al2 Al1 9_5555 . 25_4455 139.06(7) 136.31(6) 141.77(6) ? Eu1 Al2 Al1 9_5555 . 13_5555 71.175(16) 70.255(15) 72.100(16) ? Eu1 Al2 Al1 9_5555 . 21_5555 139.01(7) 136.31(6) 141.77(6) ? Eu1 Al2 Al2 9_5555 . 25_4455 130.81(5) 130.13(5) 131.47(5) ? Eu1 Al2 Al2 9_5555 . 25_4555 49.21(2) 48.53(2) 49.87(2) ? Eu1 Al2 Al2 9_5555 . 25_5455 130.79(5) 130.13(5) 131.47(5) ? Eu1 Al2 Al2 9_5555 . 25_5555 49.19(2) 48.53(2) 49.87(2) ? Eu1 Al2 Al2 9_5555 . 3_5565 67.51(2) 67.51(2) 67.52(2) ? Eu1 Al2 Al2 9_5555 . 11_5455 158.26(4) 158.18(4) 158.35(4) ? Eu1 Al2 Al2 9_5555 . 11_5555 66.613(16) 66.608(16) 66.618(16) ? Eu1 Al2 Al2 9_5555 . 19_4555 105.45(3) 104.50(3) 106.37(3) ? Eu1 Al2 Al2 9_5555 . 19_5555 105.43(3) 104.50(3) 106.37(3) ? Eu1 Al2 Eu1 17_4555 . 17_5555 135.03(4) 135.02(4) 135.03(4) ? Eu1 Al2 Al1 17_4555 . . 139.05(5) 136.79(5) 141.26(5) ? Eu1 Al2 Al1 17_4555 . 25_4455 71.22(6) 69.45(5) 72.97(6) ? Eu1 Al2 Al1 17_4555 . 13_5555 71.22(6) 69.45(5) 72.97(6) ? Eu1 Al2 Al1 17_4555 . 21_5555 139.05(5) 136.79(5) 141.26(5) ? Eu1 Al2 Al2 17_4555 . 25_4455 49.21(3) 49.11(3) 49.31(3) ? Eu1 Al2 Al2 17_4555 . 25_4555 49.21(3) 49.11(3) 49.31(3) ? Eu1 Al2 Al2 17_4555 . 25_5455 130.79(3) 130.69(3) 130.89(3) ? Eu1 Al2 Al2 17_4555 . 25_5555 130.79(3) 130.69(3) 130.89(3) ? Eu1 Al2 Al2 17_4555 . 3_5565 67.53(6) 65.96(6) 69.06(6) ? Eu1 Al2 Al2 17_4555 . 11_5455 105.47(4) 103.33(4) 107.56(4) ? Eu1 Al2 Al2 17_4555 . 11_5555 105.47(4) 103.33(4) 107.56(4) ? Eu1 Al2 Al2 17_4555 . 19_4555 66.66(4) 64.98(4) 68.34(4) ? Eu1 Al2 Al2 17_4555 . 19_5555 158.35(5) 156.63(5) 159.99(5) ? Eu1 Al2 Al1 17_5555 . . 71.19(6) 69.45(5) 72.97(6) ? Eu1 Al2 Al1 17_5555 . 25_4455 139.01(5) 136.79(5) 141.26(5) ? Eu1 Al2 Al1 17_5555 . 13_5555 139.01(5) 136.79(5) 141.26(5) ? Eu1 Al2 Al1 17_5555 . 21_5555 71.19(6) 69.45(5) 72.97(6) ? Eu1 Al2 Al2 17_5555 . 25_4455 130.79(3) 130.69(3) 130.89(3) ? Eu1 Al2 Al2 17_5555 . 25_4555 130.79(3) 130.69(3) 130.89(3) ? Eu1 Al2 Al2 17_5555 . 25_5455 49.21(3) 49.11(3) 49.31(3) ? Eu1 Al2 Al2 17_5555 . 25_5555 49.21(3) 49.11(3) 49.31(3) ? Eu1 Al2 Al2 17_5555 . 3_5565 67.50(6) 65.96(6) 69.06(6) ? Eu1 Al2 Al2 17_5555 . 11_5455 105.43(4) 103.33(4) 107.56(4) ? Eu1 Al2 Al2 17_5555 . 11_5555 105.43(4) 103.33(4) 107.56(4) ? Eu1 Al2 Al2 17_5555 . 19_4555 158.31(5) 156.63(5) 159.99(5) ? Eu1 Al2 Al2 17_5555 . 19_5555 66.63(4) 64.98(4) 68.34(4) ? Al1 Al2 Al1 . . 25_4455 111.03(5) 110.98(5) 111.09(6) ? Al1 Al2 Al1 . . 13_5555 71.33(5) 71.32(6) 71.34(5) ? Al1 Al2 Al1 . . 21_5555 71.30(5) 67.79(6) 74.88(6) ? Al1 Al2 Al2 . . 25_4455 145.52(5) 145.36(5) 145.64(5) ? Al1 Al2 Al2 . . 25_4555 90.01(4) 87.88(4) 92.09(4) ? Al1 Al2 Al2 . . 25_5455 89.99(6) 87.91(6) 92.12(6) ? Al1 Al2 Al2 . . 25_5555 34.48(3) 34.36(3) 34.64(3) ? Al1 Al2 Al2 . . 3_5565 124.40(6) 122.95(6) 125.78(6) ? Al1 Al2 Al2 . . 11_5455 91.36(5) 89.21(5) 93.49(5) ? Al1 Al2 Al2 . . 11_5555 35.66(4) 35.50(4) 35.83(4) ? Al1 Al2 Al2 . . 19_4555 91.37(4) 91.28(4) 91.49(5) ? Al1 Al2 Al2 . . 19_5555 35.65(3) 33.89(5) 37.44(5) ? Al1 Al2 Al1 25_4455 . 13_5555 71.37(5) 67.79(6) 74.88(6) ? Al1 Al2 Al1 25_4455 . 21_5555 71.33(5) 71.32(6) 71.34(5) ? Al1 Al2 Al2 25_4455 . 25_4455 34.48(3) 34.36(3) 34.64(3) ? Al1 Al2 Al2 25_4455 . 25_4555 90.03(6) 87.91(6) 92.12(6) ? Al1 Al2 Al2 25_4455 . 25_5455 89.97(4) 87.88(4) 92.09(4) ? Al1 Al2 Al2 25_4455 . 25_5555 145.52(5) 145.36(5) 145.64(5) ? Al1 Al2 Al2 25_4455 . 3_5565 124.42(6) 122.95(6) 125.78(6) ? Al1 Al2 Al2 25_4455 . 11_5455 35.67(4) 35.50(4) 35.83(4) ? Al1 Al2 Al2 25_4455 . 11_5555 91.40(5) 89.21(5) 93.49(5) ? Al1 Al2 Al2 25_4455 . 19_4555 35.68(3) 33.89(5) 37.44(5) ? Al1 Al2 Al2 25_4455 . 19_5555 91.37(4) 91.28(4) 91.49(5) ? Al1 Al2 Al1 13_5555 . 21_5555 111.03(5) 110.98(6) 111.09(6) ? Al1 Al2 Al2 13_5555 . 25_4455 90.03(6) 87.91(6) 92.12(6) ? Al1 Al2 Al2 13_5555 . 25_4555 34.48(3) 34.36(3) 34.64(3) ? Al1 Al2 Al2 13_5555 . 25_5455 145.52(5) 145.36(5) 145.64(5) ? Al1 Al2 Al2 13_5555 . 25_5555 89.97(4) 87.88(4) 92.09(4) ? Al1 Al2 Al2 13_5555 . 3_5565 124.42(6) 122.95(6) 125.78(6) ? Al1 Al2 Al2 13_5555 . 11_5455 91.40(5) 89.21(5) 93.49(5) ? Al1 Al2 Al2 13_5555 . 11_5555 35.67(4) 35.50(4) 35.83(4) ? Al1 Al2 Al2 13_5555 . 19_4555 35.68(3) 33.89(5) 37.44(5) ? Al1 Al2 Al2 13_5555 . 19_5555 91.37(4) 91.28(4) 91.49(5) ? Al1 Al2 Al2 21_5555 . 25_4455 90.01(4) 87.88(4) 92.09(4) ? Al1 Al2 Al2 21_5555 . 25_4555 145.52(5) 145.36(5) 145.64(5) ? Al1 Al2 Al2 21_5555 . 25_5455 34.48(3) 34.36(3) 34.64(3) ? Al1 Al2 Al2 21_5555 . 25_5555 89.99(6) 87.91(6) 92.12(6) ? Al1 Al2 Al2 21_5555 . 3_5565 124.40(6) 122.95(6) 125.78(6) ? Al1 Al2 Al2 21_5555 . 11_5455 35.66(4) 35.50(4) 35.83(4) ? Al1 Al2 Al2 21_5555 . 11_5555 91.36(5) 89.21(5) 93.49(5) ? Al1 Al2 Al2 21_5555 . 19_4555 91.37(4) 91.28(4) 91.49(5) ? Al1 Al2 Al2 21_5555 . 19_5555 35.65(3) 33.89(5) 37.44(5) ? Al2 Al2 Al2 25_4455 . 25_4555 90.01(4) 90.01(4) 90.01(4) ? Al2 Al2 Al2 25_4455 . 25_5455 89.99(3) 89.99(3) 89.99(3) ? Al2 Al2 Al2 25_4455 . 25_5555 180 180 180 ? Al2 Al2 Al2 25_4455 . 3_5565 90.01(5) 88.72(5) 91.28(5) ? Al2 Al2 Al2 25_4455 . 11_5455 59.52(3) 57.85(3) 61.16(3) ? Al2 Al2 Al2 25_4455 . 11_5555 120.51(5) 118.84(5) 122.15(5) ? Al2 Al2 Al2 25_4455 . 19_4555 59.53(3) 58.73(3) 60.34(3) ? Al2 Al2 Al2 25_4455 . 19_5555 120.49(3) 119.66(3) 121.27(3) ? Al2 Al2 Al2 25_4555 . 25_5455 180 180 180 ? Al2 Al2 Al2 25_4555 . 25_5555 89.99(3) 89.99(3) 89.99(3) ? Al2 Al2 Al2 25_4555 . 3_5565 90.01(5) 88.72(5) 91.28(5) ? Al2 Al2 Al2 25_4555 . 11_5455 120.51(5) 118.84(5) 122.15(5) ? Al2 Al2 Al2 25_4555 . 11_5555 59.52(3) 57.85(3) 61.16(3) ? Al2 Al2 Al2 25_4555 . 19_4555 59.53(3) 58.73(3) 60.34(3) ? Al2 Al2 Al2 25_4555 . 19_5555 120.49(3) 119.66(3) 121.27(3) ? Al2 Al2 Al2 25_5455 . 25_5555 90.01(4) 90.01(4) 90.01(4) ? Al2 Al2 Al2 25_5455 . 3_5565 89.99(5) 88.72(5) 91.28(5) ? Al2 Al2 Al2 25_5455 . 11_5455 59.49(3) 57.85(3) 61.16(3) ? Al2 Al2 Al2 25_5455 . 11_5555 120.48(5) 118.84(5) 122.15(5) ? Al2 Al2 Al2 25_5455 . 19_4555 120.47(3) 119.66(3) 121.27(3) ? Al2 Al2 Al2 25_5455 . 19_5555 59.51(3) 58.73(3) 60.34(3) ? Al2 Al2 Al2 25_5555 . 3_5565 89.99(5) 88.72(5) 91.28(5) ? Al2 Al2 Al2 25_5555 . 11_5455 120.48(5) 118.84(5) 122.15(5) ? Al2 Al2 Al2 25_5555 . 11_5555 59.49(3) 57.85(3) 61.16(3) ? Al2 Al2 Al2 25_5555 . 19_4555 120.47(3) 119.66(3) 121.27(3) ? Al2 Al2 Al2 25_5555 . 19_5555 59.51(3) 58.73(3) 60.34(3) ? Al2 Al2 Al2 3_5565 . 11_5455 134.061(19) 133.987(19) 134.136(18) ? Al2 Al2 Al2 3_5565 . 11_5555 134.061(19) 133.987(19) 134.136(18) ? Al2 Al2 Al2 3_5565 . 19_4555 134.19(8) 130.98(7) 137.36(8) ? Al2 Al2 Al2 3_5565 . 19_5555 134.13(8) 130.98(7) 137.36(8) ? Al2 Al2 Al2 11_5455 . 11_5555 91.69(3) 91.66(3) 91.73(3) ? Al2 Al2 Al2 11_5455 . 19_4555 60.98(3) 60.11(3) 61.81(3) ? Al2 Al2 Al2 11_5455 . 19_5555 60.97(3) 60.11(3) 61.81(3) ? Al2 Al2 Al2 11_5555 . 19_4555 60.98(3) 60.11(3) 61.81(3) ? Al2 Al2 Al2 11_5555 . 19_5555 60.97(3) 60.11(3) 61.81(3) ? Al2 Al2 Al2 19_4555 . 19_5555 91.69(4) 91.65(4) 91.72(4) ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _twin_refln_datum_id _twin_refln_individual_id _twin_refln_index_h _twin_refln_index_k _twin_refln_index_l _twin_refln_index_m_1 _twin_refln_F_squared_calc _twin_refln_F_squared_meas _twin_refln_F_squared_sigma _twin_refln_include_status 1 2 0 -2 0 0 177119.00 178351.00 1881.29 o 1 1 2 0 0 0 177119.00 178351.00 1881.29 o 2 1 2 0 0 1 1319.09 1547.16 128.60 o 3 2 0 -4 0 0 284069.00 286335.00 2240.84 o 3 1 4 0 0 0 284069.00 286335.00 2240.84 o 4 1 4 0 0 1 8912.36 9055.18 249.63 o 5 2 2 0 0 0 178016.00 176901.00 2112.90 o 5 1 0 2 0 0 178016.00 176901.00 2112.90 o 6 2 2 -2 0 0 413296.00 422576.00 2246.10 o 6 1 2 2 0 0 413296.00 422576.00 2246.10 o 7 2 2 -2 0 1 6619.47 6525.46 168.87 o 7 1 2 2 0 1 6619.47 6525.46 168.87 o 8 2 2 -4 0 0 83725.40 83573.40 1528.81 o 8 1 4 2 0 0 83725.40 83573.40 1528.81 o 9 2 2 -4 0 1 3413.77 3582.16 261.03 o 9 1 4 2 0 1 3413.77 3582.16 261.03 o 10 2 4 0 0 0 285722.00 287600.00 2650.23 o 10 1 0 4 0 0 285722.00 287600.00 2650.23 o 11 2 4 -2 0 0 84643.60 84008.00 1327.53 o 11 1 2 4 0 0 84643.60 84008.00 1327.53 o 12 2 4 -2 0 1 3847.00 4178.97 241.09 o 12 1 2 4 0 1 3847.00 4178.97 241.09 o 13 2 4 -4 0 0 157810.00 159064.00 2172.76 o 13 1 4 4 0 0 157810.00 159064.00 2172.76 o 14 2 4 -4 0 1 10663.50 11664.20 426.05 o 14 1 4 4 0 1 10663.50 11664.20 426.05 o 15 2 6 0 0 0 50906.00 51745.50 1824.41 o 15 1 0 6 0 0 50906.00 51745.50 1824.41 o 16 2 6 -2 0 1 12341.10 12960.30 711.97 o 16 1 2 6 0 1 12341.10 12960.30 711.97 o 17 2 6 -4 0 0 32471.90 34157.20 1119.12 o 17 1 4 6 0 0 32471.90 34157.20 1119.12 o 18 2 6 -4 0 1 4047.33 4603.42 313.32 o 18 1 4 6 0 1 4047.33 4603.42 313.32 o 19 2 8 0 0 0 60633.00 68352.10 2431.64 o 19 1 0 8 0 0 60633.00 68352.10 2431.64 o 20 2 8 -2 0 0 22363.50 23960.20 921.08 o 20 1 2 8 0 0 22363.50 23960.20 921.08 o 21 2 8 -2 0 1 5126.88 5009.94 349.53 o 21 1 2 8 0 1 5126.88 5009.94 349.53 o 22 2 8 -4 0 0 39529.00 43052.70 1275.96 o 22 1 4 8 0 0 39529.00 43052.70 1275.96 o 23 2 8 -4 0 1 8856.45 8776.56 434.01 o 23 1 4 8 0 1 8856.45 8776.56 434.01 o 24 2 1 -1 1 -1 471.11 510.03 44.18 o 24 1 1 1 1 -1 471.11 510.03 44.18 o 25 2 1 -1 1 0 102385.00 104479.00 605.03 o 25 1 1 1 1 0 102385.00 104479.00 605.03 o 26 2 1 -1 1 1 305.65 353.38 40.16 o 26 1 1 1 1 1 305.65 353.38 40.16 o 27 2 1 -3 1 -1 675.43 750.85 92.35 o 27 1 3 1 1 -1 675.43 750.85 92.35 o 28 2 1 -3 1 0 68294.00 69576.70 589.01 o 28 1 3 1 1 0 68294.00 69576.70 589.01 o 29 2 1 -3 1 1 2186.60 2277.00 104.41 o 29 1 3 1 1 1 2186.60 2277.00 104.41 o 30 2 1 -5 1 -1 1922.95 1706.58 325.26 o 30 1 5 1 1 -1 1922.95 1706.58 325.26 o 31 2 1 -5 1 0 37081.10 38691.60 979.18 o 31 1 5 1 1 0 37081.10 38691.60 979.18 o 32 2 1 -5 1 1 2339.11 2120.05 357.36 o 32 1 5 1 1 1 2339.11 2120.05 357.36 o 33 2 3 -1 1 -1 811.03 887.60 84.34 o 33 1 1 3 1 -1 811.03 887.60 84.34 o 34 2 3 -1 1 0 68860.60 68143.60 715.63 o 34 1 1 3 1 0 68860.60 68143.60 715.63 o 35 2 3 -1 1 1 2445.09 2575.46 136.61 o 35 1 1 3 1 1 2445.09 2575.46 136.61 o 36 2 3 -3 1 -1 2049.46 2136.68 156.64 o 36 1 3 3 1 -1 2049.46 2136.68 156.64 o 37 2 3 -3 1 0 48962.40 49041.40 638.47 o 37 1 3 3 1 0 48962.40 49041.40 638.47 o 38 2 3 -3 1 1 1388.57 1602.37 136.54 o 38 1 3 3 1 1 1388.57 1602.37 136.54 o 39 2 3 -5 1 -1 905.86 947.61 228.87 o 39 1 5 3 1 -1 905.86 947.61 228.87 o 40 2 3 -5 1 0 29461.80 29969.60 994.29 o 40 1 5 3 1 0 29461.80 29969.60 994.29 o 41 2 3 -5 1 1 3648.57 3686.78 413.66 o 41 1 5 3 1 1 3648.57 3686.78 413.66 o 42 2 5 -1 1 -1 2192.21 2225.29 232.97 o 42 1 1 5 1 -1 2192.21 2225.29 232.97 o 43 2 5 -1 1 0 37921.00 37905.30 1016.40 o 43 1 1 5 1 0 37921.00 37905.30 1016.40 o 44 2 5 -1 1 1 2810.36 2836.32 237.03 o 44 1 1 5 1 1 2810.36 2836.32 237.03 o 45 2 5 -3 1 -1 1050.60 1180.67 244.97 o 45 1 3 5 1 -1 1050.60 1180.67 244.97 o 46 2 5 -3 1 0 29893.30 31061.60 720.86 o 46 1 3 5 1 0 29893.30 31061.60 720.86 o 47 2 5 -3 1 1 3918.63 4230.11 293.26 o 47 1 3 5 1 1 3918.63 4230.11 293.26 o 48 2 5 -5 1 -1 2400.91 2594.31 357.42 o 48 1 5 5 1 -1 2400.91 2594.31 357.42 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0 36000.40 37505.10 1385.05 o 267 2 1 -5 7 1 1669.62 1686.46 256.98 o 267 1 5 1 7 1 1669.62 1686.46 256.98 o 268 2 1 -7 7 -1 3613.14 3107.88 534.04 o 268 1 7 1 7 -1 3613.14 3107.88 534.04 o 269 2 1 -7 7 0 19927.70 19474.80 739.60 o 269 1 7 1 7 0 19927.70 19474.80 739.60 o 270 2 1 -7 7 1 1764.60 1537.84 325.23 o 270 1 7 1 7 1 1764.60 1537.84 325.23 o 271 2 3 -1 7 -1 2147.60 2233.31 345.44 o 271 1 1 3 7 -1 2147.60 2233.31 345.44 o 272 2 3 -1 7 0 58131.90 56459.10 1576.28 o 272 1 1 3 7 0 58131.90 56459.10 1576.28 o 273 2 3 -1 7 1 661.22 803.15 224.88 o 273 1 1 3 7 1 661.22 803.15 224.88 o 274 2 3 -3 7 -1 1559.09 1353.34 176.70 o 274 1 3 3 7 -1 1559.09 1353.34 176.70 o 275 2 3 -3 7 0 45249.10 44978.00 645.19 o 275 1 3 3 7 0 45249.10 44978.00 645.19 o 276 2 3 -3 7 1 1653.37 1658.55 168.67 o 276 1 3 3 7 1 1653.37 1658.55 168.67 o 277 2 3 -5 7 -1 3618.34 3389.44 265.05 o 277 1 5 3 7 -1 3618.34 3389.44 265.05 o 278 2 3 -5 7 0 29301.10 27940.40 671.95 o 278 1 5 3 7 0 29301.10 27940.40 671.95 o 279 2 3 -5 7 1 953.61 690.63 160.61 o 279 1 5 3 7 1 953.61 690.63 160.61 o 280 2 3 -7 7 -1 2490.89 2011.67 361.38 o 280 1 7 3 7 -1 2490.89 2011.67 361.38 o 281 2 3 -7 7 0 16603.50 15653.10 663.09 o 281 1 7 3 7 0 16603.50 15653.10 663.09 o 282 2 3 -7 7 1 2163.41 1738.69 337.30 o 282 1 7 3 7 1 2163.41 1738.69 337.30 o 283 2 5 -3 7 -1 3902.64 3671.42 228.96 o 283 1 3 5 7 -1 3902.64 3671.42 228.96 o 284 2 5 -3 7 0 29653.40 28367.00 575.55 o 284 1 3 5 7 0 29653.40 28367.00 575.55 o 285 2 5 -3 7 1 1093.94 1184.65 160.63 o 285 1 3 5 7 1 1093.94 1184.65 160.63 o 286 2 5 -5 7 -1 2049.33 1935.60 265.04 o 286 1 5 5 7 -1 2049.33 1935.60 265.04 o 287 2 5 -5 7 0 20041.50 19161.70 591.01 o 287 1 5 5 7 0 20041.50 19161.70 591.01 o 288 2 7 -1 7 -1 4255.63 4165.84 265.14 o 288 1 1 7 7 -1 4255.63 4165.84 265.14 o 289 2 7 -1 7 0 20622.40 22564.80 542.91 o 289 1 1 7 7 0 20622.40 22564.80 542.91 o 290 2 7 -1 7 1 2115.81 2229.01 200.81 o 290 1 1 7 7 1 2115.81 2229.01 200.81 o 291 2 7 -3 7 -1 2940.57 2550.49 261.07 o 291 1 3 7 7 -1 2940.57 2550.49 261.07 o 292 2 7 -3 7 0 17078.70 18130.30 466.32 o 292 1 3 7 7 0 17078.70 18130.30 466.32 o 293 2 0 0 8 0 255398.00 248053.00 2440.91 o 293 1 0 0 8 0 255398.00 248053.00 2440.91 o 294 1 2 0 8 -1 473.24 554.17 148.58 o 295 2 0 -2 8 0 73492.80 74215.80 1445.21 o 295 1 2 0 8 0 73492.80 74215.80 1445.21 o 296 1 2 0 8 1 620.70 686.71 168.67 o 297 1 4 0 8 -1 4249.63 4291.97 405.89 o 298 2 0 -4 8 0 145331.00 143593.00 1887.13 o 298 1 4 0 8 0 145331.00 143593.00 1887.13 o 299 1 4 0 8 1 4860.12 5200.70 409.95 o 300 1 6 0 8 -1 2306.30 1855.71 333.39 o 301 2 0 -6 8 0 29366.80 30087.40 925.15 o 301 1 6 0 8 0 29366.80 30087.40 925.15 o 302 1 6 0 8 1 2902.60 2832.02 361.53 o 303 2 2 0 8 0 73771.40 69626.90 2364.90 o 303 1 0 2 8 0 73771.40 69626.90 2364.90 o 304 2 2 -2 8 -1 2842.64 2618.72 200.82 o 304 1 2 2 8 -1 2842.64 2618.72 200.82 o 305 2 2 -2 8 0 190578.00 187391.00 1613.50 o 305 1 2 2 8 0 190578.00 187391.00 1613.50 o 306 2 2 -2 8 1 3252.64 3570.74 297.23 o 306 1 2 2 8 1 3252.64 3570.74 297.23 o 307 2 2 -4 8 -1 1590.51 1529.88 184.71 o 307 1 4 2 8 -1 1590.51 1529.88 184.71 o 308 2 2 -4 8 0 44904.70 43394.00 906.73 o 308 1 4 2 8 0 44904.70 43394.00 906.73 o 309 2 2 -4 8 1 2068.92 2228.60 261.01 o 309 1 4 2 8 1 2068.92 2228.60 261.01 o 310 2 4 -2 8 -1 1792.79 1413.71 84.34 o 310 1 2 4 8 -1 1792.79 1413.71 84.34 o 311 2 4 -2 8 0 45380.60 42876.30 366.88 o 311 1 2 4 8 0 45380.60 42876.30 366.88 o 312 2 4 -2 8 1 2329.96 1927.90 140.58 o 312 1 2 4 8 1 2329.96 1927.90 140.58 o 313 2 4 -4 8 -1 5606.08 5294.30 345.45 o 313 1 4 4 8 -1 5606.08 5294.30 345.45 o 314 2 4 -4 8 0 89175.40 88033.10 965.98 o 314 1 4 4 8 0 89175.40 88033.10 965.98 o 315 2 4 -4 8 1 6413.71 6322.95 361.54 o 315 1 4 4 8 1 6413.71 6322.95 361.54 o 316 2 4 -6 8 -1 2048.48 1738.71 281.08 o 316 1 6 4 8 -1 2048.48 1738.71 281.08 o 317 2 4 -6 8 0 20065.30 17691.30 542.68 o 317 1 6 4 8 0 20065.30 17691.30 542.68 o 318 2 4 -6 8 1 2584.60 2618.16 305.18 o 318 1 6 4 8 1 2584.60 2618.16 305.18 o 319 2 6 -2 8 -1 6741.87 6357.15 257.18 o 319 1 2 6 8 -1 6741.87 6357.15 257.18 o 320 2 6 -2 8 0 71373.90 72755.70 734.50 o 320 1 2 6 8 0 71373.90 72755.70 734.50 o 321 2 6 -2 8 1 7676.63 7800.51 249.17 o 321 1 2 6 8 1 7676.63 7800.51 249.17 o 322 2 6 -4 8 -1 2244.17 2028.10 216.87 o 322 1 4 6 8 -1 2244.17 2028.10 216.87 o 323 2 6 -4 8 0 20388.70 19267.30 470.42 o 323 1 4 6 8 0 20388.70 19267.30 470.42 o 324 2 6 -4 8 1 2826.71 2907.75 240.97 o 324 1 4 6 8 1 2826.71 2907.75 240.97 o 325 2 1 -1 9 -1 178.21 212.81 76.29 < 325 1 1 1 9 -1 178.21 212.81 76.29 < 326 2 1 -1 9 0 31638.10 30972.60 624.45 o 326 1 1 1 9 0 31638.10 30972.60 624.45 o 327 2 1 -1 9 1 70.46 100.38 60.23 < 327 1 1 1 9 1 70.46 100.38 60.23 < 328 2 1 -3 9 -1 315.87 289.10 128.49 < 328 1 3 1 9 -1 315.87 289.10 128.49 < 329 2 1 -3 9 0 25360.00 24636.20 583.51 o 329 1 3 1 9 0 25360.00 24636.20 583.51 o 330 2 1 -3 9 1 693.04 754.89 128.49 o 330 1 3 1 9 1 693.04 754.89 128.49 o 331 2 1 -5 9 -1 1089.86 1011.86 180.69 o 331 1 5 1 9 -1 1089.86 1011.86 180.69 o 332 2 1 -5 9 0 17414.90 16782.90 494.44 o 332 1 5 1 9 0 17414.90 16782.90 494.44 o 333 2 1 -5 9 1 908.52 855.25 168.64 o 333 1 5 1 9 1 908.52 855.25 168.64 o 334 2 1 -7 9 -1 1212.11 899.41 269.02 o 334 1 7 1 9 -1 1212.11 899.41 269.02 o 335 2 1 -7 9 0 10649.70 10007.00 518.23 o 335 1 7 1 9 0 10649.70 10007.00 518.23 o 336 2 1 -7 9 1 1624.41 1445.51 329.25 o 336 1 7 1 9 1 1624.41 1445.51 329.25 o 337 2 3 -1 9 -1 379.02 457.77 188.73 < 337 1 1 3 9 -1 379.02 457.77 188.73 < 338 2 3 -1 9 0 25571.80 24758.10 998.21 o 338 1 1 3 9 0 25571.80 24758.10 998.21 o 339 2 3 -1 9 1 770.57 963.76 265.03 o 339 1 1 3 9 1 770.57 963.76 265.03 o 340 2 3 -3 9 -1 1056.55 702.73 136.53 o 340 1 3 3 9 -1 1056.55 702.73 136.53 o 341 2 3 -3 9 0 20968.30 20211.30 514.83 o 341 1 3 3 9 0 20968.30 20211.30 514.83 o 342 2 3 -3 9 1 456.92 393.51 88.34 o 342 1 3 3 9 1 456.92 393.51 88.34 o 343 2 3 -5 9 -1 593.17 485.85 164.63 < 343 1 5 3 9 -1 593.17 485.85 164.63 < 344 2 3 -5 9 0 14694.80 14287.50 442.09 o 344 1 5 3 9 0 14694.80 14287.50 442.09 o 345 2 3 -5 9 1 1527.14 1513.84 313.21 o 345 1 5 3 9 1 1527.14 1513.84 313.21 o 346 2 3 -7 9 -1 1522.95 1232.72 465.78 < 346 1 7 3 9 -1 1522.95 1232.72 465.78 < 347 2 5 -3 9 -1 683.88 497.93 88.34 o 347 1 3 5 9 -1 683.88 497.93 88.34 o 348 2 5 -3 9 0 14922.10 14438.70 289.42 o 348 1 3 5 9 0 14922.10 14438.70 289.42 o 349 2 5 -3 9 1 1639.64 1517.99 144.57 o 349 1 3 5 9 1 1639.64 1517.99 144.57 o 350 2 5 -5 9 -1 1497.42 1293.02 236.92 o 350 1 5 5 9 -1 1497.42 1293.02 236.92 o 351 2 5 -5 9 0 10670.70 9526.29 341.52 o 351 1 5 5 9 0 10670.70 9526.29 341.52 o 352 2 5 -5 9 1 751.03 726.79 172.66 o 352 1 5 5 9 1 751.03 726.79 172.66 o 353 2 7 -3 9 -1 1710.39 1630.44 184.73 o 353 1 3 7 9 -1 1710.39 1630.44 184.73 o 354 2 7 -3 9 0 9405.99 9124.40 289.28 o 354 1 3 7 9 0 9405.99 9124.40 289.28 o 355 2 7 -3 9 1 1247.19 1104.33 148.58 o 355 1 3 7 9 1 1247.19 1104.33 148.58 o 356 2 0 0 10 0 48966.60 48963.80 1504.90 o 356 1 0 0 10 0 48966.60 48963.80 1504.90 o 357 1 4 0 10 -1 1379.99 1373.54 253.02 o 358 2 0 -4 10 0 31488.20 30428.30 865.24 o 358 1 4 0 10 0 31488.20 30428.30 865.24 o 359 1 4 0 10 1 758.47 891.50 208.82 o 360 1 6 0 10 -1 5139.41 4456.17 446.02 o 361 2 0 -6 10 0 54572.00 53084.40 1200.51 o 361 1 6 0 10 0 54572.00 53084.40 1200.51 o 362 1 6 0 10 1 3621.76 3583.41 405.74 o 363 2 2 -2 10 -1 837.78 1027.98 248.96 o 363 1 2 2 10 -1 837.78 1027.98 248.96 o 364 2 2 -2 10 0 39038.20 39921.60 902.46 o 364 1 2 2 10 0 39038.20 39921.60 902.46 o 365 2 2 -2 10 1 438.29 534.05 144.55 o 365 1 2 2 10 1 438.29 534.05 144.55 o 366 2 2 -4 10 -1 4047.68 3955.49 277.08 o 366 1 4 2 10 -1 4047.68 3955.49 277.08 o 367 2 2 -4 10 0 85197.40 83145.90 1010.08 o 367 1 4 2 10 0 85197.40 83145.90 1010.08 o 368 2 2 -4 10 1 2777.33 3083.95 232.90 o 368 1 4 2 10 1 2777.33 3083.95 232.90 o 369 2 2 -6 10 -1 2152.49 1919.32 297.13 o 369 1 6 2 10 -1 2152.49 1919.32 297.13 o 370 2 2 -6 10 0 17822.30 16365.70 554.63 o 370 1 6 2 10 0 17822.30 16365.70 554.63 o 371 2 2 -6 10 1 1278.68 1104.20 281.07 o 371 1 6 2 10 1 1278.68 1104.20 281.07 o 372 2 4 -4 10 -1 1872.89 1554.09 204.80 o 372 1 4 4 10 -1 1872.89 1554.09 204.80 o 373 2 4 -4 10 0 21550.80 20024.60 414.16 o 373 1 4 4 10 0 21550.80 20024.60 414.16 o 374 2 4 -4 10 1 1055.13 1044.03 252.98 o 374 1 4 4 10 1 1055.13 1044.03 252.98 o 375 2 4 -6 10 -1 4835.72 4200.62 321.27 o 375 1 6 4 10 -1 4835.72 4200.62 321.27 o 376 2 4 -6 10 0 36270.20 35719.50 1005.84 o 376 1 6 4 10 0 36270.20 35719.50 1005.84 o 377 2 6 -4 10 -1 5247.09 4390.51 261.10 o 377 1 4 6 10 -1 5247.09 4390.51 261.10 o 378 2 6 -4 10 0 36503.70 34654.30 511.04 o 378 1 4 6 10 0 36503.70 34654.30 511.04 o 379 2 6 -4 10 1 3736.43 3566.59 200.82 o 379 1 4 6 10 1 3736.43 3566.59 200.82 o 380 2 1 -1 11 -1 105.50 148.57 60.23 < 380 1 1 1 11 -1 105.50 148.57 60.23 < 381 2 1 -1 11 0 56613.20 57286.20 811.00 o 381 1 1 1 11 0 56613.20 57286.20 811.00 o 382 2 1 -1 11 1 369.05 437.67 92.35 o 382 1 1 1 11 1 369.05 437.67 92.35 o 383 2 1 -3 11 -1 815.44 835.19 148.57 o 383 1 3 1 11 -1 815.44 835.19 148.57 o 384 2 1 -3 11 0 45297.50 44464.20 713.14 o 384 1 3 1 11 0 45297.50 44464.20 713.14 o 385 2 1 -3 11 1 931.89 1128.29 148.57 o 385 1 3 1 11 1 931.89 1128.29 148.57 o 386 2 1 -5 11 -1 1145.90 1015.85 200.76 o 386 1 5 1 11 -1 1145.90 1015.85 200.76 o 387 2 1 -5 11 0 30022.80 29377.30 655.69 o 387 1 5 1 11 0 30022.80 29377.30 655.69 o 388 2 1 -5 11 1 2306.59 2332.91 228.87 o 388 1 5 1 11 1 2306.59 2332.91 228.87 o 389 2 1 -7 11 -1 1886.57 1489.67 321.22 o 389 1 7 1 11 -1 1886.57 1489.67 321.22 o 390 2 3 -1 11 -1 915.94 1092.27 248.97 o 390 1 1 3 11 -1 915.94 1092.27 248.97 o 391 2 3 -1 11 0 45537.30 47052.00 1462.82 o 391 1 1 3 11 0 45537.30 47052.00 1462.82 o 392 2 3 -1 11 1 1104.61 1329.24 309.22 o 392 1 1 3 11 1 1104.61 1329.24 309.22 o 393 2 3 -3 11 -1 672.53 702.70 144.56 o 393 1 3 3 11 -1 672.53 702.70 144.56 o 394 2 3 -3 11 0 36852.40 36904.40 1429.16 o 394 1 3 3 11 0 36852.40 36904.40 1429.16 o 395 2 3 -3 11 1 2173.25 2369.35 220.87 o 395 1 3 3 11 1 2173.25 2369.35 220.87 o 396 2 3 -5 11 -1 1771.74 1441.57 204.79 o 396 1 5 3 11 -1 1771.74 1441.57 204.79 o 397 2 3 -5 11 0 24809.60 24343.90 571.00 o 397 1 5 3 11 0 24809.60 24343.90 571.00 o 398 2 3 -5 11 1 1729.48 1533.88 224.86 o 398 1 5 3 11 1 1729.48 1533.88 224.86 o 399 2 0 0 12 0 55401.90 60243.00 1689.88 o 399 1 0 0 12 0 55401.90 60243.00 1689.88 o 400 1 4 0 12 -1 1365.86 1445.78 277.11 o 401 2 0 -4 12 0 36292.80 37201.00 1066.57 o 401 1 4 0 12 0 36292.80 37201.00 1066.57 o 402 1 4 0 12 1 894.94 1112.37 244.96 o 403 1 6 0 12 -1 653.28 526.04 236.92 < 404 2 0 -6 12 0 5138.74 4895.63 437.76 o 404 1 6 0 12 0 5138.74 4895.63 437.76 o 405 1 6 0 12 1 332.62 256.99 196.76 < 406 2 2 -2 12 -1 855.83 979.78 144.56 o 406 1 2 2 12 -1 855.83 979.78 144.56 o 407 2 2 -2 12 0 44679.20 46773.90 785.54 o 407 1 2 2 12 0 44679.20 46773.90 785.54 o 408 2 2 -2 12 1 548.84 698.68 136.52 o 408 1 2 2 12 1 548.84 698.68 136.52 o 409 2 2 -4 12 -1 370.56 401.53 124.47 o 409 1 4 2 12 -1 370.56 401.53 124.47 o 410 2 2 -4 12 0 6463.35 6740.13 333.39 o 410 1 4 2 12 0 6463.35 6740.13 333.39 o 411 2 2 -4 12 1 157.96 196.75 104.40 < 411 1 4 2 12 1 157.96 196.75 104.40 < 412 2 2 -6 12 -1 2119.28 1798.86 265.01 o 412 1 6 2 12 -1 2119.28 1798.86 265.01 o 413 2 2 -6 12 0 20484.90 19145.30 602.94 o 413 1 6 2 12 0 20484.90 19145.30 602.94 o 414 2 4 -4 12 -1 1952.03 1525.97 148.58 o 414 1 4 4 12 -1 1952.03 1525.97 148.58 o 415 2 4 -4 12 0 24720.20 22707.70 390.06 o 415 1 4 4 12 0 24720.20 22707.70 390.06 o 416 2 4 -4 12 1 1304.98 1120.34 140.54 o 416 1 4 4 12 1 1304.98 1120.34 140.54 o 417 2 1 -1 13 -1 337.79 377.44 104.40 o 417 1 1 1 13 -1 337.79 377.44 104.40 o 418 2 1 -1 13 0 66284.20 69469.00 1601.67 o 418 1 1 1 13 0 66284.20 69469.00 1601.67 o 419 2 1 -1 13 1 197.95 244.93 104.40 < 419 1 1 1 13 1 197.95 244.93 104.40 < 420 2 1 -3 13 -1 912.50 939.57 156.60 o 420 1 3 1 13 -1 912.50 939.57 156.60 o 421 2 1 -3 13 0 53342.00 55128.80 918.68 o 421 1 3 1 13 0 53342.00 55128.80 918.68 o 422 2 1 -3 13 1 1157.95 1304.98 180.69 o 422 1 3 1 13 1 1157.95 1304.98 180.69 o 423 2 1 -5 13 -1 2196.09 1995.61 236.90 o 423 1 5 1 13 -1 2196.09 1995.61 236.90 o 424 2 1 -5 13 0 35430.00 34949.50 623.59 o 424 1 5 1 13 0 35430.00 34949.50 623.59 o 425 2 1 -5 13 1 1774.79 1927.32 224.85 o 425 1 5 1 13 1 1774.79 1927.32 224.85 o 426 2 3 -1 13 -1 1078.67 1256.93 317.24 o 426 1 1 3 13 -1 1078.67 1256.93 317.24 o 427 2 3 -1 13 0 53559.10 56845.90 1603.90 o 427 1 1 3 13 0 53559.10 56845.90 1603.90 o 428 2 3 -3 13 -1 2032.32 2044.02 273.07 o 428 1 3 3 13 -1 2032.32 2044.02 273.07 o 429 2 3 -3 13 0 43458.40 43929.80 821.34 o 429 1 3 3 13 0 43458.40 43929.80 821.34 o 430 2 3 -3 13 1 1225.67 1385.36 184.71 o 430 1 3 3 13 1 1225.67 1385.36 184.71 o 431 2 0 0 14 0 6863.48 7957.89 642.74 o 431 1 0 0 14 0 6863.48 7957.89 642.74 o 432 1 2 0 14 -1 209.07 252.97 120.46 < 433 2 0 -2 14 0 34383.00 36930.20 893.38 o 433 1 2 0 14 0 34383.00 36930.20 893.38 o 434 1 2 0 14 1 279.95 317.22 120.46 < 435 1 4 0 14 -1 123.85 148.57 140.54 < 436 2 0 -4 14 0 5444.05 5767.51 477.95 o 436 1 4 0 14 0 5444.05 5767.51 477.95 o 437 1 4 0 14 1 241.80 289.11 164.63 < 438 2 2 0 14 0 34450.90 37579.90 1839.15 o 438 1 0 2 14 0 34450.90 37579.90 1839.15 o 439 2 2 -2 14 -1 58.91 80.31 84.32 < 439 1 2 2 14 -1 58.91 80.31 84.32 < 440 2 2 -2 14 0 6141.75 6740.20 297.24 o 440 1 2 2 14 0 6141.75 6740.20 297.24 o 441 2 2 -2 14 1 128.27 184.70 84.32 < 441 1 2 2 14 1 128.27 184.70 84.32 < 442 2 2 -4 14 -1 786.63 795.03 176.67 o 442 1 4 2 14 -1 786.63 795.03 176.67 o 443 2 2 -4 14 0 23532.40 23834.10 611.13 o 443 1 4 2 14 0 23532.40 23834.10 611.13 o 444 2 2 -4 14 1 1036.17 1140.35 184.71 o 444 1 4 2 14 1 1036.17 1140.35 184.71 o 445 2 1 -1 15 -1 115.49 184.70 136.52 < 445 1 1 1 15 -1 115.49 184.70 136.52 < 446 2 1 -1 15 0 29230.10 33008.90 1166.53 o 446 1 1 1 15 0 29230.10 33008.90 1166.53 o 447 2 1 -1 15 1 111.62 168.64 140.53 < 447 1 1 1 15 1 111.62 168.64 140.53 < 448 2 1 -3 15 -1 709.03 770.94 148.57 o 448 1 3 1 15 -1 709.03 770.94 148.57 o 449 2 1 -3 15 0 24225.80 26207.70 667.46 o 449 1 3 1 15 0 24225.80 26207.70 667.46 o 450 2 1 -3 15 1 280.73 333.27 116.44 < 450 1 3 1 15 1 280.73 333.27 116.44 < 451 2 3 -1 15 -1 805.14 947.67 289.12 o 451 1 1 3 15 -1 805.14 947.67 289.12 o 452 2 3 -1 15 0 24349.80 27186.90 1162.11 o 452 1 1 3 15 0 24349.80 27186.90 1162.11 o 453 2 3 -1 15 1 333.65 513.97 232.89 < 453 1 1 3 15 1 333.65 513.97 232.89 < 454 2 3 -3 15 -1 743.16 951.65 293.12 o 454 1 3 3 15 -1 743.16 951.65 293.12 o 455 2 0 0 16 0 49129.30 57024.70 1985.25 o 455 1 0 0 16 0 49129.30 57024.70 1985.25 o 456 1 2 0 16 -1 94.17 160.61 136.52 < 457 2 0 -2 16 0 16450.70 17804.00 799.78 o 457 1 2 0 16 0 16450.70 17804.00 799.78 o 458 2 2 0 16 0 16511.90 19171.20 1322.29 o 458 1 0 2 16 0 16511.90 19171.20 1322.29 o 459 2 2 -2 16 -1 562.99 634.43 140.54 o 459 1 2 2 16 -1 562.99 634.43 140.54 o 460 2 2 0 0 1 1584.25 1611.46 100.46 o 461 2 4 0 0 1 10703.90 10633.50 326.13 o 462 2 6 0 0 1 5266.03 5055.58 470.19 o 463 2 8 0 0 1 12026.90 11641.00 659.46 o 464 2 2 0 2 -1 3591.72 3503.19 156.86 o 465 2 2 0 2 1 2172.74 2230.64 124.59 o 466 2 4 0 2 -1 2713.27 2692.03 281.26 o 467 2 4 0 2 1 1069.43 1204.89 156.63 o 468 2 6 0 2 -1 10650.80 10200.40 635.51 o 469 2 6 0 2 1 6785.07 6608.32 522.55 o 470 2 8 0 2 -1 4311.41 4109.71 453.96 o 471 2 8 0 2 1 2281.95 2136.69 345.40 o 472 2 2 0 4 -1 135.47 188.73 72.28 < 473 2 2 0 4 1 74.98 108.41 60.23 < 474 2 4 0 4 -1 3383.74 3258.84 285.30 o 475 2 4 0 4 1 2801.70 2997.22 273.20 o 476 2 6 0 4 -1 825.43 775.04 184.73 o 477 2 6 0 4 1 569.52 594.31 196.76 o 478 2 8 0 4 -1 4777.24 4258.52 526.29 o 479 2 8 0 4 1 4142.29 4049.30 494.11 o 480 2 2 0 6 -1 1072.95 1092.46 180.74 o 481 2 2 0 6 1 1699.16 1727.31 216.92 o 482 2 6 0 6 -1 4167.78 4037.73 309.36 o 483 2 6 0 6 1 6372.14 6703.47 426.00 o 484 2 8 0 6 -1 1324.76 1140.50 273.08 o 485 2 2 0 8 -1 568.37 666.61 269.05 < 486 2 2 0 8 1 745.47 779.07 277.09 < 487 2 2 0 14 -1 251.10 381.46 261.00 < 488 2 2 0 14 1 336.22 413.59 261.00 < 489 2 2 0 16 -1 113.10 108.41 204.78 < 490 2 2 0 16 1 179.64 273.04 248.95 < # start Validation Reply Form #_vrf_SYMM003_I #; # #PROBLEM: _symmetry_space_group_name_H-M is missing # #RESPONSE: This test is not properly performed, because CheckCif cannot #handle superspace models for incommensurate structures. # #; #_vrf_SYMM004_I #; # #PROBLEM: _symmetry_equiv_pos_as_xyz loop is missing. # #RESPONSE: This test is not properly performed, because CheckCif cannot #handle superspace models for incommensurate structures. # #; #_vrf_GEOM003_I #; # #PROBLEM: _geom_bond_distance is missing # #RESPONSE: This alert appears only for 70 K and 20 K and not 250 K data, #because CheckCif cannot handle superspace models for incommensurate structures. # #; # end Validation Reply Form