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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_(I) #======================================================================= _audit_creation_method 'Jana2006 Version : 19/12/2008' # 1. PROCESSING SUMMARY (IUCr Office Use Only) _journal_name_full 'Journal of the American Chemical Society' _journal_year 2009 _journal_volume 131 _journal_page_first 6896 _journal_page_last 6897 _journal_paper_doi https://dx.doi.org/10.1021/ja900091f #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name 'Kanatzidis, Mercouri G.' _publ_contact_author_address ;Department of Chemistry 2145 Sheridan Road Northwestern University Evanston, IL 60208-3113 USA ; _publ_contact_author_email m-kanatzidis@northwestern.edu _publ_contact_author_fax '847-491-5937' _publ_contact_author_phone '847-467-1541' _publ_requested_journal ? _publ_requested_category ? _publ_contact_letter ; ? ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ;A Double Charge Density Wave in the Single Tellurium Square Net in Cu~0.63~EuTe~2~? ; _publ_section_title_footnote ; ? ; loop_ _publ_author_name _publ_author_address 'Kanatzidis, Mercouri G.' ;Department of Chemistry 2145 Sheridan Road Northwestern University Evanston, IL 60208-3113 USA ; 'Malliakas, Christos D.' ;Department of Chemistry 2145 Sheridan Road Northwestern University Evanston, IL 60208-3113 USA ; #======================================================================= # 4. TEXT _publ_section_references ;Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790. Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany. Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany. Flack, H. D. (1983). Acta Cryst. A39, 876-881. ; #======================================================================= # 5. CHEMICAL DATA _chemical_formula_sum 'Cu0.63 Eu1 Te2' _chemical_formula_weight 447.2 #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system monoclinic _space_group_ssg_name 'Xm(0\b~1~0)(0\b~2~0)0' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4,x5 2 x1,-x2,x3,-x4,-x5 3 x1,x2,x3+1/2,x4+1/2,x5+1/2 4 x1,-x2,x3+1/2,-x4+1/2,-x5+1/2 _cell_length_a 4.4536(2) _cell_length_b 4.4723(2) _cell_length_c 20.2982(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 404.30(3) _cell_modulation_dimension 2 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00000 0.2910(2) 0.00000 2 0.00000 0.3557(3) 0.00000 _cell_formula_units_Z 4 _cell_measurement_reflns_used 20018 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 100.0(3) _exptl_crystal_type_of_structure mod _exptl_crystal_density_diffrn 7.3445 #(5) _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 740 _exptl_absorpt_coefficient_mu 32.633 _exptl_crystal_description ? _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.11 _exptl_crystal_size_min 0.03 _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type integration _exptl_absorpt_correction_T_min 0.0531 _exptl_absorpt_correction_T_max 0.4664 _exptl_absorpt_process_details 'X-Shape' #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 100.0(3) _diffrn_radiation_type 'Mo K\a' _diffrn_source 'X-ray tube' _diffrn_detector 'image plate (34 cm diameter)' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_monochromator 'plane graphite' _diffrn_measurement_device '2-circle goniometer' _diffrn_measurement_device_type 'STOE IPDS 2' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method 'rotation method' _diffrn_reflns_number 17326 _diffrn_reflns_theta_min 1.61 _diffrn_reflns_theta_max 30.25 _diffrn_reflns_theta_full 29.17 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.98 _diffrn_reflns_av_R_equivalents 0.0576 _diffrn_reflns_av_unetI/netI 0.0117 _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 -28 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_limit_index_m_1_min -1 _diffrn_reflns_limit_index_m_1_max 1 _diffrn_reflns_limit_index_m_2_min -1 _diffrn_reflns_limit_index_m_2_max 1 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _reflns_number_total 9210 _reflns_number_gt 4086 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_gt 0.0659 _refine_ls_wR_factor_gt 0.2190 _refine_ls_R_factor_all 0.1133 _refine_ls_wR_factor_ref 0.2373 _refine_ls_goodness_of_fit_ref 2.56 _refine_ls_goodness_of_fit_gt 3.62 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 9210 _refine_ls_number_parameters 347 _refine_ls_number_restraints 0 _refine_ls_number_constraints 2 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(I)+0.0016I^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.4606 _refine_ls_shift/su_mean 0.0403 _refine_diff_density_max 3.83 _refine_diff_density_min -3.46 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 0.070(16) _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 Cu 0.320 1.265 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Eu -0.158 3.668 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Te -0.531 1.675 '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 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' loop_ _reflns_class_code _reflns_class_description _reflns_class_number_total _reflns_class_R_factor_all _reflns_class_R_factor_gt _reflns_class_wR_factor_all Main 'Main reflections' 947 0.0374 0.0370 0.1331 Sat1 '1st-order satellites' 8263 0.1646 0.1026 0.2511 #======================================================================= # 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 Eu1a Eu 0.001917 0 0.192498 Uani 0.0162(2) 2 1 d . . . Eu1b Eu 0.50216(18) 0.5 0.45219(4) Uani 0.0167(2) 2 1 d . . . Te1a Te 0.0039(3) 0 0.00134(5) Uani 0.0105(2) 2 1 d . . . Te1b Te 0.5040(3) 0.5 0.14364(5) Uani 0.0144(3) 2 1 d . . . Te2a Te 0.0017(7) 0.5 0.32251(12) Uani 0.0173(3) 2 1 d . . . Te2b Te 0.5002(6) 0 0.32207(11) Uani 0.0155(3) 2 1 d . . . Cu1a Cu 0.0060(13) 0.5 0.0715(2) Uani 0.0110(6) 2 0.707(8) d . . . Cu1b Cu 0.508(2) 0 0.0710(4) Uani 0.0245(13) 2 0.537(8) 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 Eu1a Eu 0.0123(3) 0.0101(3) 0.0261(4) 0 0.0020(3) 0 Eu1b Eu 0.0136(3) 0.0116(3) 0.0249(4) 0 -0.0017(3) 0 Te1a Te 0.0089(3) 0.0099(4) 0.0126(5) 0 -0.0001(4) 0 Te1b Te 0.0127(4) 0.0083(4) 0.0223(7) 0 0.0012(4) 0 Te2a Te 0.0197(5) 0.0167(5) 0.0155(4) 0 -0.0005(3) 0 Te2b Te 0.0153(5) 0.0185(5) 0.0128(4) 0 0.0008(3) 0 Cu1a Cu 0.0169(11) 0.0102(12) 0.0058(9) 0 -0.0002(7) 0 Cu1b Cu 0.026(3) 0.023(2) 0.0246(18) 0 0.0014(16) 0 loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_y _atom_site_Fourier_wave_vector_z 1 0.00000 0.29100 0.00000 2 0.00000 0.35570 0.00000 3 0.00000 0.64670 0.00000 4 0.00000 -0.06470 0.00000 loop_ _atom_site_occ_Fourier_id _atom_site_occ_Fourier_atom_site_label _atom_site_occ_Fourier_wave_vector_seq_id Cu1ao1 Cu1a 1 Cu1ao2 Cu1a 2 Cu1ao3 Cu1a 3 Cu1ao4 Cu1a 4 Cu1bo1 Cu1b 1 Cu1bo2 Cu1b 2 Cu1bo3 Cu1b 3 Cu1bo4 Cu1b 4 loop_ _atom_site_occ_Fourier_param_id _atom_site_occ_Fourier_param_cos _atom_site_occ_Fourier_param_sin Cu1ao1 0.018(12) 0 Cu1ao2 0.010(11) 0 Cu1ao3 -0.031(10) 0 Cu1ao4 0.009(19) 0 Cu1bo1 0.072(13) 0 Cu1bo2 0.010(12) 0 Cu1bo3 0.044(12) 0 Cu1bo4 0.00(2) 0 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 Eu1ax1 Eu1a x 1 Eu1ay1 Eu1a y 1 Eu1az1 Eu1a z 1 Eu1ax2 Eu1a x 2 Eu1ay2 Eu1a y 2 Eu1az2 Eu1a z 2 Eu1ax3 Eu1a x 3 Eu1ay3 Eu1a y 3 Eu1az3 Eu1a z 3 Eu1ax4 Eu1a x 4 Eu1ay4 Eu1a y 4 Eu1az4 Eu1a z 4 Eu1bx1 Eu1b x 1 Eu1by1 Eu1b y 1 Eu1bz1 Eu1b z 1 Eu1bx2 Eu1b x 2 Eu1by2 Eu1b y 2 Eu1bz2 Eu1b z 2 Eu1bx3 Eu1b x 3 Eu1by3 Eu1b y 3 Eu1bz3 Eu1b z 3 Eu1bx4 Eu1b x 4 Eu1by4 Eu1b y 4 Eu1bz4 Eu1b z 4 Te1ax1 Te1a x 1 Te1ay1 Te1a y 1 Te1az1 Te1a z 1 Te1ax2 Te1a x 2 Te1ay2 Te1a y 2 Te1az2 Te1a z 2 Te1ax3 Te1a x 3 Te1ay3 Te1a y 3 Te1az3 Te1a z 3 Te1ax4 Te1a x 4 Te1ay4 Te1a y 4 Te1az4 Te1a z 4 Te1bx1 Te1b x 1 Te1by1 Te1b y 1 Te1bz1 Te1b z 1 Te1bx2 Te1b x 2 Te1by2 Te1b y 2 Te1bz2 Te1b z 2 Te1bx3 Te1b x 3 Te1by3 Te1b y 3 Te1bz3 Te1b z 3 Te1bx4 Te1b x 4 Te1by4 Te1b y 4 Te1bz4 Te1b z 4 Te2ax1 Te2a x 1 Te2ay1 Te2a y 1 Te2az1 Te2a z 1 Te2ax2 Te2a x 2 Te2ay2 Te2a y 2 Te2az2 Te2a z 2 Te2ax3 Te2a x 3 Te2ay3 Te2a y 3 Te2az3 Te2a z 3 Te2ax4 Te2a x 4 Te2ay4 Te2a y 4 Te2az4 Te2a z 4 Te2bx1 Te2b x 1 Te2by1 Te2b y 1 Te2bz1 Te2b z 1 Te2bx2 Te2b x 2 Te2by2 Te2b y 2 Te2bz2 Te2b z 2 Te2bx3 Te2b x 3 Te2by3 Te2b y 3 Te2bz3 Te2b z 3 Te2bx4 Te2b x 4 Te2by4 Te2b y 4 Te2bz4 Te2b z 4 Cu1ax1 Cu1a x 1 Cu1ay1 Cu1a y 1 Cu1az1 Cu1a z 1 Cu1ax2 Cu1a x 2 Cu1ay2 Cu1a y 2 Cu1az2 Cu1a z 2 Cu1ax3 Cu1a x 3 Cu1ay3 Cu1a y 3 Cu1az3 Cu1a z 3 Cu1ax4 Cu1a x 4 Cu1ay4 Cu1a y 4 Cu1az4 Cu1a z 4 Cu1bx1 Cu1b x 1 Cu1by1 Cu1b y 1 Cu1bz1 Cu1b z 1 Cu1bx2 Cu1b x 2 Cu1by2 Cu1b y 2 Cu1bz2 Cu1b z 2 Cu1bx3 Cu1b x 3 Cu1by3 Cu1b y 3 Cu1bz3 Cu1b z 3 Cu1bx4 Cu1b x 4 Cu1by4 Cu1b y 4 Cu1bz4 Cu1b z 4 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Eu1ax1 0.0010(2) 0 Eu1ay1 0 0.0011(2) Eu1az1 0.00246(5) 0 Eu1ax2 -0.0005(3) 0 Eu1ay2 0 0.0012(2) Eu1az2 -0.00005(6) 0 Eu1ax3 0.0019(2) 0 Eu1ay3 0 -0.00140(15) Eu1az3 0.00048(5) 0 Eu1ax4 0.0000(3) 0 Eu1ay4 0 0.0001(3) Eu1az4 -0.00005(8) 0 Eu1bx1 -0.0010(2) 0 Eu1by1 0 -0.0009(2) Eu1bz1 0.00198(7) 0 Eu1bx2 0.0036(2) 0 Eu1by2 0 0.0002(2) Eu1bz2 -0.00014(7) 0 Eu1bx3 0.0033(2) 0 Eu1by3 0 0.00113(15) Eu1bz3 -0.00038(5) 0 Eu1bx4 -0.0002(3) 0 Eu1by4 0 0.0003(3) Eu1bz4 -0.00002(8) 0 Te1ax1 0.0001(2) 0 Te1ay1 0 -0.0039(2) Te1az1 -0.00087(5) 0 Te1ax2 -0.00004(19) 0 Te1ay2 0 -0.0002(2) Te1az2 -0.00005(6) 0 Te1ax3 -0.00013(17) 0 Te1ay3 0 0.00000(16) Te1az3 0.00020(4) 0 Te1ax4 0.0001(4) 0 Te1ay4 0 0.0000(4) Te1az4 -0.00019(10) 0 Te1bx1 0.0000(2) 0 Te1by1 0 -0.0044(2) Te1bz1 0.00093(6) 0 Te1bx2 0.0001(2) 0 Te1by2 0 -0.0006(2) Te1bz2 0.00005(6) 0 Te1bx3 -0.00020(19) 0 Te1by3 0 -0.00041(16) Te1bz3 -0.00026(5) 0 Te1bx4 -0.0008(3) 0 Te1by4 0 -0.0003(4) Te1bz4 0.00006(9) 0 Te2ax1 0.0000(4) 0 Te2ay1 0 0.0111(3) Te2az1 0.00117(7) 0 Te2ax2 0.0164(3) 0 Te2ay2 0 -0.0017(5) Te2az2 -0.00011(7) 0 Te2ax3 0.0198(3) 0 Te2ay3 0 0.0049(3) Te2az3 -0.00010(5) 0 Te2ax4 0.0023(5) 0 Te2ay4 0 0.0035(4) Te2az4 0.00032(11) 0 Te2bx1 0.0003(4) 0 Te2by1 0 -0.0068(3) Te2bz1 0.00150(6) 0 Te2bx2 -0.0122(3) 0 Te2by2 0 0.0013(5) Te2bz2 -0.00007(6) 0 Te2bx3 0.0139(2) 0 Te2by3 0 0.0037(2) Te2bz3 0.00008(5) 0 Te2bx4 0.0012(4) 0 Te2by4 0 0.0000(4) Te2bz4 -0.00012(11) 0 Cu1ax1 0.0007(7) 0 Cu1ay1 0 -0.0035(9) Cu1az1 0.00030(17) 0 Cu1ax2 0.0031(18) 0 Cu1ay2 0 0.0004(6) Cu1az2 -0.0004(2) 0 Cu1ax3 0.0003(5) 0 Cu1ay3 0 0.0028(6) Cu1az3 -0.00062(11) 0 Cu1ax4 0.0007(11) 0 Cu1ay4 0 0.0000(9) Cu1az4 -0.0001(2) 0 Cu1bx1 0.0003(12) 0 Cu1by1 0 -0.0099(16) Cu1bz1 0.0007(3) 0 Cu1bx2 0.000(3) 0 Cu1by2 0 0.0008(11) Cu1bz2 -0.0001(4) 0 Cu1bx3 -0.0012(10) 0 Cu1by3 0 -0.0011(10) Cu1bz3 0.0011(2) 0 Cu1bx4 0.0008(17) 0 Cu1by4 0 -0.0007(15) Cu1bz4 -0.0006(5) 0 loop_ _atom_site_U_Fourier_id _atom_site_U_Fourier_atom_site_label _atom_site_U_Fourier_tens_elem _atom_site_U_Fourier_wave_vector_seq_id Eu1aU111 Eu1a U11 1 Eu1aU221 Eu1a U22 1 Eu1aU331 Eu1a U33 1 Eu1aU121 Eu1a U12 1 Eu1aU131 Eu1a U13 1 Eu1aU231 Eu1a U23 1 Eu1aU112 Eu1a U11 2 Eu1aU222 Eu1a U22 2 Eu1aU332 Eu1a U33 2 Eu1aU122 Eu1a U12 2 Eu1aU132 Eu1a U13 2 Eu1aU232 Eu1a U23 2 Eu1aU113 Eu1a U11 3 Eu1aU223 Eu1a U22 3 Eu1aU333 Eu1a U33 3 Eu1aU123 Eu1a U12 3 Eu1aU133 Eu1a U13 3 Eu1aU233 Eu1a U23 3 Eu1aU114 Eu1a U11 4 Eu1aU224 Eu1a U22 4 Eu1aU334 Eu1a U33 4 Eu1aU124 Eu1a U12 4 Eu1aU134 Eu1a U13 4 Eu1aU234 Eu1a U23 4 Eu1bU111 Eu1b U11 1 Eu1bU221 Eu1b U22 1 Eu1bU331 Eu1b U33 1 Eu1bU121 Eu1b U12 1 Eu1bU131 Eu1b U13 1 Eu1bU231 Eu1b U23 1 Eu1bU112 Eu1b U11 2 Eu1bU222 Eu1b U22 2 Eu1bU332 Eu1b U33 2 Eu1bU122 Eu1b U12 2 Eu1bU132 Eu1b U13 2 Eu1bU232 Eu1b U23 2 Eu1bU113 Eu1b U11 3 Eu1bU223 Eu1b U22 3 Eu1bU333 Eu1b U33 3 Eu1bU123 Eu1b U12 3 Eu1bU133 Eu1b U13 3 Eu1bU233 Eu1b U23 3 Eu1bU114 Eu1b U11 4 Eu1bU224 Eu1b U22 4 Eu1bU334 Eu1b U33 4 Eu1bU124 Eu1b U12 4 Eu1bU134 Eu1b U13 4 Eu1bU234 Eu1b U23 4 Te1aU111 Te1a U11 1 Te1aU221 Te1a U22 1 Te1aU331 Te1a U33 1 Te1aU121 Te1a U12 1 Te1aU131 Te1a U13 1 Te1aU231 Te1a U23 1 Te1aU112 Te1a U11 2 Te1aU222 Te1a U22 2 Te1aU332 Te1a U33 2 Te1aU122 Te1a U12 2 Te1aU132 Te1a U13 2 Te1aU232 Te1a U23 2 Te1aU113 Te1a U11 3 Te1aU223 Te1a U22 3 Te1aU333 Te1a U33 3 Te1aU123 Te1a U12 3 Te1aU133 Te1a U13 3 Te1aU233 Te1a U23 3 Te1aU114 Te1a U11 4 Te1aU224 Te1a U22 4 Te1aU334 Te1a U33 4 Te1aU124 Te1a U12 4 Te1aU134 Te1a U13 4 Te1aU234 Te1a U23 4 Te1bU111 Te1b U11 1 Te1bU221 Te1b U22 1 Te1bU331 Te1b U33 1 Te1bU121 Te1b U12 1 Te1bU131 Te1b U13 1 Te1bU231 Te1b U23 1 Te1bU112 Te1b U11 2 Te1bU222 Te1b U22 2 Te1bU332 Te1b U33 2 Te1bU122 Te1b U12 2 Te1bU132 Te1b U13 2 Te1bU232 Te1b U23 2 Te1bU113 Te1b U11 3 Te1bU223 Te1b U22 3 Te1bU333 Te1b U33 3 Te1bU123 Te1b U12 3 Te1bU133 Te1b U13 3 Te1bU233 Te1b U23 3 Te1bU114 Te1b U11 4 Te1bU224 Te1b U22 4 Te1bU334 Te1b U33 4 Te1bU124 Te1b U12 4 Te1bU134 Te1b U13 4 Te1bU234 Te1b U23 4 Te2aU111 Te2a U11 1 Te2aU221 Te2a U22 1 Te2aU331 Te2a U33 1 Te2aU121 Te2a U12 1 Te2aU131 Te2a U13 1 Te2aU231 Te2a U23 1 Te2aU112 Te2a U11 2 Te2aU222 Te2a U22 2 Te2aU332 Te2a U33 2 Te2aU122 Te2a U12 2 Te2aU132 Te2a U13 2 Te2aU232 Te2a U23 2 Te2aU113 Te2a U11 3 Te2aU223 Te2a U22 3 Te2aU333 Te2a U33 3 Te2aU123 Te2a U12 3 Te2aU133 Te2a U13 3 Te2aU233 Te2a U23 3 Te2aU114 Te2a U11 4 Te2aU224 Te2a U22 4 Te2aU334 Te2a U33 4 Te2aU124 Te2a U12 4 Te2aU134 Te2a U13 4 Te2aU234 Te2a U23 4 Te2bU111 Te2b U11 1 Te2bU221 Te2b U22 1 Te2bU331 Te2b U33 1 Te2bU121 Te2b U12 1 Te2bU131 Te2b U13 1 Te2bU231 Te2b U23 1 Te2bU112 Te2b U11 2 Te2bU222 Te2b U22 2 Te2bU332 Te2b U33 2 Te2bU122 Te2b U12 2 Te2bU132 Te2b U13 2 Te2bU232 Te2b U23 2 Te2bU113 Te2b U11 3 Te2bU223 Te2b U22 3 Te2bU333 Te2b U33 3 Te2bU123 Te2b U12 3 Te2bU133 Te2b U13 3 Te2bU233 Te2b U23 3 Te2bU114 Te2b U11 4 Te2bU224 Te2b U22 4 Te2bU334 Te2b U33 4 Te2bU124 Te2b U12 4 Te2bU134 Te2b U13 4 Te2bU234 Te2b U23 4 Cu1aU111 Cu1a U11 1 Cu1aU221 Cu1a U22 1 Cu1aU331 Cu1a U33 1 Cu1aU121 Cu1a U12 1 Cu1aU131 Cu1a U13 1 Cu1aU231 Cu1a U23 1 Cu1aU112 Cu1a U11 2 Cu1aU222 Cu1a U22 2 Cu1aU332 Cu1a U33 2 Cu1aU122 Cu1a U12 2 Cu1aU132 Cu1a U13 2 Cu1aU232 Cu1a U23 2 Cu1aU113 Cu1a U11 3 Cu1aU223 Cu1a U22 3 Cu1aU333 Cu1a U33 3 Cu1aU123 Cu1a U12 3 Cu1aU133 Cu1a U13 3 Cu1aU233 Cu1a U23 3 Cu1aU114 Cu1a U11 4 Cu1aU224 Cu1a U22 4 Cu1aU334 Cu1a U33 4 Cu1aU124 Cu1a U12 4 Cu1aU134 Cu1a U13 4 Cu1aU234 Cu1a U23 4 Cu1bU111 Cu1b U11 1 Cu1bU221 Cu1b U22 1 Cu1bU331 Cu1b U33 1 Cu1bU121 Cu1b U12 1 Cu1bU131 Cu1b U13 1 Cu1bU231 Cu1b U23 1 Cu1bU112 Cu1b U11 2 Cu1bU222 Cu1b U22 2 Cu1bU332 Cu1b U33 2 Cu1bU122 Cu1b U12 2 Cu1bU132 Cu1b U13 2 Cu1bU232 Cu1b U23 2 Cu1bU113 Cu1b U11 3 Cu1bU223 Cu1b U22 3 Cu1bU333 Cu1b U33 3 Cu1bU123 Cu1b U12 3 Cu1bU133 Cu1b U13 3 Cu1bU233 Cu1b U23 3 Cu1bU114 Cu1b U11 4 Cu1bU224 Cu1b U22 4 Cu1bU334 Cu1b U33 4 Cu1bU124 Cu1b U12 4 Cu1bU134 Cu1b U13 4 Cu1bU234 Cu1b U23 4 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin Eu1aU111 -0.0013(4) 0 Eu1aU221 -0.0011(4) 0 Eu1aU331 0.0031(7) 0 Eu1aU121 0 -0.0006(3) Eu1aU131 -0.0013(4) 0 Eu1aU231 0 -0.0019(3) Eu1aU112 0.0004(4) 0 Eu1aU222 0.0006(4) 0 Eu1aU332 -0.0008(5) 0 Eu1aU122 0 0.0016(3) Eu1aU132 0.0007(4) 0 Eu1aU232 0 0.0000(4) Eu1aU113 -0.0006(5) 0 Eu1aU223 0.0001(3) 0 Eu1aU333 0.0016(4) 0 Eu1aU123 0 -0.0019(3) Eu1aU133 0.0002(4) 0 Eu1aU233 0 -0.0002(3) Eu1aU114 -0.0005(5) 0 Eu1aU224 0.0010(6) 0 Eu1aU334 0.0003(6) 0 Eu1aU124 0 -0.0002(4) Eu1aU134 0.0000(4) 0 Eu1aU234 0 -0.0002(5) Eu1bU111 0.0019(5) 0 Eu1bU221 -0.0003(3) 0 Eu1bU331 0.0044(6) 0 Eu1bU121 0 0.0008(3) Eu1bU131 -0.0015(4) 0 Eu1bU231 0 0.0008(4) Eu1bU112 0.0004(4) 0 Eu1bU222 0.0003(4) 0 Eu1bU332 0.0006(5) 0 Eu1bU122 0 0.0022(3) Eu1bU132 -0.0013(4) 0 Eu1bU232 0 -0.0002(4) Eu1bU113 -0.0002(5) 0 Eu1bU223 -0.0013(3) 0 Eu1bU333 0.0028(4) 0 Eu1bU123 0 0.0020(3) Eu1bU133 -0.0002(4) 0 Eu1bU233 0 0.0008(3) Eu1bU114 -0.0006(5) 0 Eu1bU224 0.0005(6) 0 Eu1bU334 0.0011(7) 0 Eu1bU124 0 -0.0003(4) Eu1bU134 -0.0001(5) 0 Eu1bU234 0 -0.0001(5) Te1aU111 0.0003(4) 0 Te1aU221 -0.0005(4) 0 Te1aU331 -0.0004(4) 0 Te1aU121 0 0.0004(4) Te1aU131 0.0007(3) 0 Te1aU231 0 -0.0004(3) Te1aU112 -0.0003(3) 0 Te1aU222 -0.0007(4) 0 Te1aU332 0.0007(5) 0 Te1aU122 0 0.0006(3) Te1aU132 -0.0003(3) 0 Te1aU232 0 -0.0001(4) Te1aU113 0.0003(3) 0 Te1aU223 -0.0004(3) 0 Te1aU333 -0.0016(4) 0 Te1aU123 0 0.0003(3) Te1aU133 0.0000(3) 0 Te1aU233 0 0.0000(3) Te1aU114 0.0013(6) 0 Te1aU224 -0.0005(6) 0 Te1aU334 0.0032(6) 0 Te1aU124 0 -0.0005(5) Te1aU134 -0.0026(4) 0 Te1aU234 0 0.0002(6) Te1bU111 0.0001(5) 0 Te1bU221 -0.0011(4) 0 Te1bU331 0.0004(5) 0 Te1bU121 0 0.0005(4) Te1bU131 -0.0006(4) 0 Te1bU231 0 -0.0006(4) Te1bU112 -0.0003(4) 0 Te1bU222 -0.0006(5) 0 Te1bU332 0.0008(6) 0 Te1bU122 0 -0.0002(3) Te1bU132 -0.0002(4) 0 Te1bU232 0 -0.0003(4) Te1bU113 0.0001(3) 0 Te1bU223 0.0001(3) 0 Te1bU333 -0.0007(4) 0 Te1bU123 0 0.0007(3) Te1bU133 0.0001(3) 0 Te1bU233 0 -0.0017(3) Te1bU114 0.0013(6) 0 Te1bU224 -0.0003(7) 0 Te1bU334 -0.0012(7) 0 Te1bU124 0 0.0002(5) Te1bU134 -0.0004(5) 0 Te1bU234 0 -0.0010(6) Te2aU111 0.0108(6) 0 Te2aU221 -0.0001(5) 0 Te2aU331 -0.0012(7) 0 Te2aU121 0 -0.0002(6) Te2aU131 0.0018(5) 0 Te2aU231 0 -0.0020(5) Te2aU112 0.0036(10) 0 Te2aU222 -0.0005(8) 0 Te2aU332 -0.0005(8) 0 Te2aU122 0 -0.0013(4) Te2aU132 0.0017(7) 0 Te2aU232 0 0.0010(4) Te2aU113 0.0053(11) 0 Te2aU223 0.0008(5) 0 Te2aU333 0.0021(6) 0 Te2aU123 0 -0.0007(4) Te2aU133 -0.0006(7) 0 Te2aU233 0 0.0017(4) Te2aU114 -0.0008(8) 0 Te2aU224 -0.0004(7) 0 Te2aU334 -0.0001(7) 0 Te2aU124 0 -0.0026(6) Te2aU134 0.0002(5) 0 Te2aU234 0 0.0004(8) Te2bU111 -0.0109(5) 0 Te2bU221 -0.0012(5) 0 Te2bU331 -0.0015(7) 0 Te2bU121 0 -0.0006(5) Te2bU131 0.0019(5) 0 Te2bU231 0 0.0011(5) Te2bU112 -0.0031(8) 0 Te2bU222 0.0007(8) 0 Te2bU332 0.0029(7) 0 Te2bU122 0 -0.0006(3) Te2bU132 0.0027(6) 0 Te2bU232 0 0.0002(4) Te2bU113 0.0002(9) 0 Te2bU223 0.0015(5) 0 Te2bU333 0.0000(6) 0 Te2bU123 0 0.0013(3) Te2bU133 -0.0030(6) 0 Te2bU233 0 -0.0016(3) Te2bU114 -0.0006(7) 0 Te2bU224 -0.0002(7) 0 Te2bU334 -0.0033(6) 0 Te2bU124 0 -0.0043(6) Te2bU134 -0.0032(5) 0 Te2bU234 0 -0.0018(8) Cu1aU111 0.0036(19) 0 Cu1aU221 -0.0058(16) 0 Cu1aU331 0.0018(12) 0 Cu1aU121 0 -0.0009(9) Cu1aU131 0.0032(10) 0 Cu1aU231 0 -0.0020(10) Cu1aU112 0.0028(14) 0 Cu1aU222 0.0009(14) 0 Cu1aU332 -0.0043(15) 0 Cu1aU122 0 0.0014(17) Cu1aU132 -0.0010(10) 0 Cu1aU232 0 -0.0002(15) Cu1aU113 -0.001(2) 0 Cu1aU223 -0.0002(13) 0 Cu1aU333 -0.0001(15) 0 Cu1aU123 0 0.0001(8) Cu1aU133 -0.0004(16) 0 Cu1aU233 0 -0.0042(8) Cu1aU114 0.002(2) 0 Cu1aU224 0.000(2) 0 Cu1aU334 0.0005(16) 0 Cu1aU124 0 0.0001(15) Cu1aU134 -0.0009(12) 0 Cu1aU234 0 -0.0008(18) Cu1bU111 -0.004(3) 0 Cu1bU221 0.010(3) 0 Cu1bU331 -0.004(3) 0 Cu1bU121 0 -0.0019(17) Cu1bU131 -0.0021(18) 0 Cu1bU231 0 -0.0053(19) Cu1bU112 0.004(3) 0 Cu1bU222 -0.002(3) 0 Cu1bU332 -0.008(3) 0 Cu1bU122 0 -0.005(3) Cu1bU132 -0.003(2) 0 Cu1bU232 0 -0.001(3) Cu1bU113 -0.018(5) 0 Cu1bU223 -0.005(2) 0 Cu1bU333 0.007(3) 0 Cu1bU123 0 -0.0031(16) Cu1bU133 0.008(3) 0 Cu1bU233 0 0.0104(18) Cu1bU114 -0.004(3) 0 Cu1bU224 -0.002(4) 0 Cu1bU334 0.003(3) 0 Cu1bU124 0 0.000(3) Cu1bU134 0.001(2) 0 Cu1bU234 0 0.000(3) #======================================================================= # 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_av _geom_bond_distance_min _geom_bond_distance_max _geom_bond_publ_flag Eu1a Te1b . 1_445 3.302(4) 3.282(4) 3.316(4) yes Eu1a Te1b . 1_455 3.302(4) 3.282(4) 3.316(4) yes Eu1a Te1b . 1_545 3.314(4) 3.301(5) 3.331(4) yes Eu1a Te1b . . 3.314(4) 3.301(5) 3.331(4) yes Eu1a Te2a . 1_545 3.460(4) 3.443(4) 3.480(4) yes Eu1a Te2a . . 3.460(4) 3.443(4) 3.480(4) yes Eu1a Te2b . 1_455 3.452(5) 3.387(8) 3.543(8) yes Eu1a Te2b . . 3.439(5) 3.395(8) 3.523(8) yes Eu1a Cu1a . 1_545 3.322(9) 3.283(8) 3.369(9) yes Eu1a Cu1a . . 3.322(9) 3.283(8) 3.369(9) yes Eu1a Cu1b . 1_455 3.306(18) 3.27(3) 3.34(3) yes Eu1a Cu1b . . 3.345(18) 3.304(14) 3.382(14) yes Eu1b Te1a . 3_555 3.305(4) 3.275(4) 3.326(4) yes Eu1b Te1a . 3_565 3.305(4) 3.275(4) 3.326(4) yes Eu1b Te1a . 3_655 3.315(4) 3.299(4) 3.340(4) yes Eu1b Te1a . 3_665 3.315(4) 3.299(4) 3.340(4) yes Eu1b Te2a . . 3.449(5) 3.360(9) 3.560(9) yes Eu1b Te2a . 1_655 3.448(5) 3.383(8) 3.544(9) yes Eu1b Te2b . . 3.461(4) 3.442(4) 3.477(4) yes Eu1b Te2b . 1_565 3.462(4) 3.442(4) 3.477(4) yes Eu1b Cu1a . 3_555 3.279(10) 3.215(18) 3.341(18) yes Eu1b Cu1a . 3_655 3.301(10) 3.246(18) 3.338(7) yes Eu1b Cu1b . 3_555 3.287(15) 3.237(13) 3.339(13) yes Eu1b Cu1b . 3_565 3.289(15) 3.237(14) 3.340(14) yes Te1a Cu1a . 1_545 2.652(8) 2.633(8) 2.666(8) yes Te1a Cu1a . . 2.652(8) 2.633(8) 2.666(8) yes Te1a Cu1b . 1_455 2.621(19) 2.593(14) 2.647(14) yes Te1a Cu1b . . 2.656(19) 2.63(3) 2.68(3) yes Te1b Cu1a . . 2.657(11) 2.648(10) 2.669(19) yes Te1b Cu1a . 1_655 2.673(11) 2.652(19) 2.711(19) yes Te1b Cu1b . . 2.678(14) 2.632(14) 2.718(14) yes Te1b Cu1b . 1_565 2.679(14) 2.632(14) 2.717(14) yes Te2a Te2b . 1_455 3.166(6) 2.959(5) 3.328(6) yes Te2a Te2b . 1_465 3.160(6) 2.958(5) 3.328(6) yes Te2a Te2b . . 3.151(6) 2.922(5) 3.285(6) yes Te2a Te2b . 1_565 3.151(6) 2.922(5) 3.286(6) yes Cu1a Cu1b . 1_455 3.148(19) 3.11(2) 3.194(18) yes Cu1a Cu1b . 1_465 3.147(19) 3.11(2) 3.195(18) yes Cu1a Cu1b . . 3.163(19) 3.125(19) 3.20(2) yes Cu1a Cu1b . 1_565 3.162(19) 3.125(19) 3.20(2) yes 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_av _geom_angle_min _geom_angle_max _geom_angle_publ_flag Te1b Eu1a Te1b 1_445 . 1_455 85.22(9) 84.06(13) 86.47(13) yes Te1b Eu1a Te1b 1_445 . 1_545 84.62(8) 84.23(8) 85.07(9) yes Te1b Eu1a Te1b 1_445 . . 145.04(10) 143.57(17) 146.70(17) yes Te1b Eu1a Te2a 1_445 . 1_545 77.97(10) 75.87(11) 80.08(11) yes Te1b Eu1a Te2a 1_445 . . 131.86(11) 129.49(8) 134.89(7) yes Te1b Eu1a Te2b 1_445 . 1_455 78.11(10) 76.74(10) 79.65(9) yes Te1b Eu1a Te2b 1_445 . . 131.52(13) 129.49(12) 133.37(12) yes Te1b Eu1a Cu1a 1_445 . 1_545 47.59(13) 47.06(14) 48.14(14) yes Te1b Eu1a Cu1a 1_445 . . 103.69(17) 102.33(15) 105.2(2) yes Te1b Eu1a Cu1b 1_445 . 1_455 47.8(4) 46.8(4) 48.8(4) yes Te1b Eu1a Cu1b 1_445 . . 103.3(3) 102.4(3) 104.4(3) yes Te1b Eu1a Te1b 1_455 . 1_545 145.04(10) 143.57(17) 146.70(17) yes Te1b Eu1a Te1b 1_455 . . 84.62(8) 84.23(8) 85.07(9) yes Te1b Eu1a Te2a 1_455 . 1_545 131.86(11) 129.49(8) 134.89(7) yes Te1b Eu1a Te2a 1_455 . . 77.97(10) 75.87(11) 80.08(11) yes Te1b Eu1a Te2b 1_455 . 1_455 78.11(10) 76.74(10) 79.65(9) yes Te1b Eu1a Te2b 1_455 . . 131.52(13) 129.49(12) 133.37(12) yes Te1b Eu1a Cu1a 1_455 . 1_545 103.69(17) 102.33(15) 105.2(2) yes Te1b Eu1a Cu1a 1_455 . . 47.59(13) 47.06(14) 48.14(14) yes Te1b Eu1a Cu1b 1_455 . 1_455 47.8(4) 46.8(4) 48.8(4) yes Te1b Eu1a Cu1b 1_455 . . 103.3(3) 102.4(3) 104.4(3) yes Te1b Eu1a Te1b 1_545 . . 84.82(9) 84.13(13) 85.80(13) yes Te1b Eu1a Te2a 1_545 . 1_545 78.00(10) 76.11(11) 80.12(11) yes Te1b Eu1a Te2a 1_545 . . 131.66(11) 128.57(9) 135.01(9) yes Te1b Eu1a Te2b 1_545 . 1_455 131.72(13) 129.63(12) 133.13(12) yes Te1b Eu1a Te2b 1_545 . . 78.13(10) 76.44(10) 79.01(10) yes Te1b Eu1a Cu1a 1_545 . 1_545 47.21(13) 46.81(13) 47.56(13) yes Te1b Eu1a Cu1a 1_545 . . 103.20(17) 101.85(15) 104.73(16) yes Te1b Eu1a Cu1b 1_545 . 1_455 103.0(3) 102.0(3) 104.1(3) yes Te1b Eu1a Cu1b 1_545 . . 47.4(4) 46.7(4) 48.1(4) yes Te1b Eu1a Te2a . . 1_545 131.66(11) 128.57(9) 135.01(9) yes Te1b Eu1a Te2a . . . 78.00(10) 76.11(11) 80.12(11) yes Te1b Eu1a Te2b . . 1_455 131.72(13) 129.63(12) 133.13(12) yes Te1b Eu1a Te2b . . . 78.13(10) 76.44(10) 79.01(10) yes Te1b Eu1a Cu1a . . 1_545 103.20(17) 101.85(15) 104.73(16) yes Te1b Eu1a Cu1a . . . 47.21(13) 46.81(13) 47.56(13) yes Te1b Eu1a Cu1b . . 1_455 103.0(3) 102.0(3) 104.1(3) yes Te1b Eu1a Cu1b . . . 47.4(4) 46.7(4) 48.1(4) yes Te2a Eu1a Te2a 1_545 . . 80.65(12) 78.15(15) 82.65(10) yes Te2a Eu1a Te2b 1_545 . 1_455 54.51(11) 50.97(11) 57.53(11) yes Te2a Eu1a Te2b 1_545 . . 54.34(11) 50.56(11) 56.65(13) yes Te2a Eu1a Cu1a 1_545 . 1_545 97.38(19) 96.36(19) 98.33(19) yes Te2a Eu1a Cu1a 1_545 . . 177.51(18) 175.39(19) 179.7(2) yes Te2a Eu1a Cu1b 1_545 . 1_455 124.7(3) 121.6(3) 127.0(3) yes Te2a Eu1a Cu1b 1_545 . . 124.2(3) 121.6(3) 126.2(3) yes Te2a Eu1a Te2b . . 1_455 54.51(11) 50.97(11) 57.53(11) yes Te2a Eu1a Te2b . . . 54.34(11) 50.56(11) 56.65(13) yes Te2a Eu1a Cu1a . . 1_545 177.51(18) 175.39(19) 179.7(2) yes Te2a Eu1a Cu1a . . . 97.38(19) 96.36(19) 98.33(19) yes Te2a Eu1a Cu1b . . 1_455 124.7(3) 121.6(3) 127.0(3) yes Te2a Eu1a Cu1b . . . 124.2(3) 121.6(3) 126.2(3) yes Te2b Eu1a Te2b 1_455 . . 80.51(9) 79.84(15) 81.15(15) yes Te2b Eu1a Cu1a 1_455 . 1_545 124.53(16) 123.69(16) 125.88(16) yes Te2b Eu1a Cu1a 1_455 . . 124.53(16) 123.69(16) 125.88(16) yes Te2b Eu1a Cu1b 1_455 . 1_455 97.93(18) 96.7(2) 99.0(2) yes Te2b Eu1a Cu1b 1_455 . . 177.7(2) 176.0(2) 178.81(19) yes Te2b Eu1a Cu1a . . 1_545 124.19(16) 122.58(15) 125.29(16) yes Te2b Eu1a Cu1a . . . 124.19(16) 122.58(15) 125.29(16) yes Te2b Eu1a Cu1b . . 1_455 178.1(3) 176.6(2) 179.2(2) yes Te2b Eu1a Cu1b . . . 97.44(18) 95.8(2) 98.5(2) yes Cu1a Eu1a Cu1a 1_545 . . 84.6(2) 83.1(2) 86.2(2) yes Cu1a Eu1a Cu1b 1_545 . 1_455 56.7(4) 55.8(4) 57.9(4) yes Cu1a Eu1a Cu1b 1_545 . . 56.6(4) 55.4(4) 57.6(4) yes Cu1a Eu1a Cu1b . . 1_455 56.7(4) 55.8(4) 57.9(4) yes Cu1a Eu1a Cu1b . . . 56.6(4) 55.4(4) 57.6(4) yes Cu1b Eu1a Cu1b 1_455 . . 84.1(4) 83.1(3) 85.2(3) yes Te1a Eu1b Te1a 3_555 . 3_565 85.18(9) 84.32(9) 86.56(13) yes Te1a Eu1b Te1a 3_555 . 3_655 84.57(8) 84.21(8) 84.97(9) yes Te1a Eu1b Te1a 3_555 . 3_665 144.94(11) 143.79(8) 146.16(18) yes Te1a Eu1b Te2a 3_555 . . 78.29(11) 76.94(9) 80.16(9) yes Te1a Eu1b Te2a 3_555 . 1_655 131.63(13) 129.75(13) 133.80(13) yes Te1a Eu1b Te2b 3_555 . . 77.93(9) 76.52(9) 79.41(11) yes Te1a Eu1b Te2b 3_555 . 1_565 131.75(10) 129.60(8) 134.00(10) yes Te1a Eu1b Cu1a 3_555 . 3_555 47.5(2) 46.9(2) 48.3(2) yes Te1a Eu1b Cu1a 3_555 . 3_655 103.60(19) 102.5(2) 104.5(2) yes Te1a Eu1b Cu1b 3_555 . 3_555 47.5(2) 47.2(2) 47.7(2) yes Te1a Eu1b Cu1b 3_555 . 3_565 104.2(3) 102.4(3) 106.0(3) yes Te1a Eu1b Te1a 3_565 . 3_655 144.94(10) 143.80(9) 146.16(18) yes Te1a Eu1b Te1a 3_565 . 3_665 84.56(8) 84.22(8) 84.97(9) yes Te1a Eu1b Te2a 3_565 . . 78.24(10) 76.94(9) 80.17(9) yes Te1a Eu1b Te2a 3_565 . 1_655 131.56(13) 129.75(13) 133.81(13) yes Te1a Eu1b Te2b 3_565 . . 131.70(10) 129.59(8) 134.00(9) yes Te1a Eu1b Te2b 3_565 . 1_565 77.97(9) 76.52(9) 79.41(11) yes Te1a Eu1b Cu1a 3_565 . 3_555 47.5(2) 46.9(2) 48.2(2) yes Te1a Eu1b Cu1a 3_565 . 3_655 103.59(19) 102.5(2) 104.5(2) yes Te1a Eu1b Cu1b 3_565 . 3_555 104.2(3) 102.4(3) 106.0(3) yes Te1a Eu1b Cu1b 3_565 . 3_565 47.5(2) 47.2(2) 47.7(2) yes Te1a Eu1b Te1a 3_655 . 3_665 84.86(9) 84.22(10) 85.96(13) yes Te1a Eu1b Te2a 3_655 . . 131.71(13) 129.37(13) 133.27(13) yes Te1a Eu1b Te2a 3_655 . 1_655 78.17(11) 76.22(10) 79.44(10) yes Te1a Eu1b Te2b 3_655 . . 78.22(9) 76.67(9) 79.95(11) yes Te1a Eu1b Te2b 3_655 . 1_565 131.82(10) 129.14(9) 134.54(10) yes Te1a Eu1b Cu1a 3_655 . 3_555 103.43(19) 102.50(18) 104.24(19) yes Te1a Eu1b Cu1a 3_655 . 3_655 47.3(2) 46.7(2) 47.8(2) yes Te1a Eu1b Cu1b 3_655 . 3_555 46.7(2) 46.5(2) 47.1(2) yes Te1a Eu1b Cu1b 3_655 . 3_565 103.5(3) 102.1(3) 105.0(3) yes Te1a Eu1b Te2a 3_665 . . 131.63(13) 129.38(13) 133.26(13) yes Te1a Eu1b Te2a 3_665 . 1_655 78.12(10) 76.22(10) 79.44(10) yes Te1a Eu1b Te2b 3_665 . . 131.88(10) 129.14(9) 134.55(10) yes Te1a Eu1b Te2b 3_665 . 1_565 78.18(9) 76.67(10) 79.95(11) yes Te1a Eu1b Cu1a 3_665 . 3_555 103.43(19) 102.50(18) 104.2(2) yes Te1a Eu1b Cu1a 3_665 . 3_655 47.3(2) 46.7(2) 47.8(2) yes Te1a Eu1b Cu1b 3_665 . 3_555 103.5(3) 102.1(3) 105.0(3) yes Te1a Eu1b Cu1b 3_665 . 3_565 46.7(2) 46.5(2) 47.1(2) yes Te2a Eu1b Te2a . . 1_655 80.42(10) 79.74(16) 81.07(17) yes Te2a Eu1b Te2b . . . 54.25(9) 50.43(9) 56.28(10) yes Te2a Eu1b Te2b . . 1_565 54.24(9) 50.44(9) 56.29(10) yes Te2a Eu1b Cu1a . . 3_555 97.38(13) 95.95(18) 98.32(18) yes Te2a Eu1b Cu1a . . 3_655 177.24(16) 175.5(2) 178.9(2) yes Te2a Eu1b Cu1b . . 3_555 124.4(3) 123.2(3) 126.2(2) yes Te2a Eu1b Cu1b . . 3_565 124.4(3) 123.2(3) 126.2(3) yes Te2a Eu1b Te2b 1_655 . . 54.53(9) 51.12(9) 56.82(9) yes Te2a Eu1b Te2b 1_655 . 1_565 54.42(9) 51.12(9) 56.82(9) yes Te2a Eu1b Cu1a 1_655 . 3_555 177.60(17) 175.7(2) 179.0(2) yes Te2a Eu1b Cu1a 1_655 . 3_655 96.98(13) 95.22(18) 98.35(18) yes Te2a Eu1b Cu1b 1_655 . 3_555 123.7(2) 121.6(2) 125.5(2) yes Te2a Eu1b Cu1b 1_655 . 3_565 123.6(2) 121.6(2) 125.5(2) yes Te2b Eu1b Te2b . . 1_565 80.48(11) 78.75(15) 81.88(15) yes Te2b Eu1b Cu1a . . 3_555 124.2(2) 122.0(2) 126.4(2) yes Te2b Eu1b Cu1a . . 3_655 124.2(2) 122.2(2) 126.2(2) yes Te2b Eu1b Cu1b . . 3_555 96.9(3) 96.0(3) 97.8(3) yes Te2b Eu1b Cu1b . . 3_565 177.0(3) 174.9(3) 179.0(3) yes Te2b Eu1b Cu1a 1_565 . 3_555 124.2(2) 122.0(2) 126.4(2) yes Te2b Eu1b Cu1a 1_565 . 3_655 124.1(2) 122.2(2) 126.2(2) yes Te2b Eu1b Cu1b 1_565 . 3_555 177.0(3) 174.9(3) 179.0(3) yes Te2b Eu1b Cu1b 1_565 . 3_565 96.9(3) 96.0(3) 97.8(3) yes Cu1a Eu1b Cu1a 3_555 . 3_655 85.2(2) 83.7(3) 86.4(3) yes Cu1a Eu1b Cu1b 3_555 . 3_555 57.6(3) 56.4(3) 58.7(3) yes Cu1a Eu1b Cu1b 3_555 . 3_565 57.6(3) 56.4(3) 58.7(3) yes Cu1a Eu1b Cu1b 3_655 . 3_555 57.1(3) 55.9(3) 58.0(3) yes Cu1a Eu1b Cu1b 3_655 . 3_565 57.1(3) 55.9(3) 58.0(3) yes Cu1b Eu1b Cu1b 3_555 . 3_565 85.8(4) 83.3(4) 87.8(4) yes Eu1b Te1a Eu1b 3_444 . 3_454 84.84(9) 84.65(12) 85.07(12) yes Eu1b Te1a Eu1b 3_444 . 3_544 84.56(8) 84.21(8) 84.97(9) yes Eu1b Te1a Eu1b 3_444 . 3_554 144.90(11) 144.51(16) 145.33(8) yes Eu1b Te1a Cu1a 3_444 . 1_545 66.15(16) 64.97(16) 67.21(17) yes Eu1b Te1a Cu1a 3_444 . . 137.14(16) 136.39(15) 137.77(16) yes Eu1b Te1a Cu1b 3_444 . 1_455 66.1(4) 65.1(4) 66.8(4) yes Eu1b Te1a Cu1b 3_444 . . 137.0(5) 136.5(5) 137.5(5) yes Eu1b Te1a Eu1b 3_454 . 3_544 144.90(11) 144.51(16) 145.33(8) yes Eu1b Te1a Eu1b 3_454 . 3_554 84.56(8) 84.21(8) 84.97(9) yes Eu1b Te1a Cu1a 3_454 . 1_545 137.14(16) 136.39(15) 137.77(16) yes Eu1b Te1a Cu1a 3_454 . . 66.15(16) 64.97(16) 67.21(17) yes Eu1b Te1a Cu1b 3_454 . 1_455 66.1(4) 65.1(4) 66.8(4) yes Eu1b Te1a Cu1b 3_454 . . 137.0(5) 136.5(5) 137.5(5) yes Eu1b Te1a Eu1b 3_544 . 3_554 85.18(9) 84.71(12) 85.56(12) yes Eu1b Te1a Cu1a 3_544 . 1_545 65.76(16) 64.52(17) 67.07(17) yes Eu1b Te1a Cu1a 3_544 . . 136.92(16) 136.18(17) 137.51(16) yes Eu1b Te1a Cu1b 3_544 . 1_455 136.7(5) 136.4(5) 137.0(5) yes Eu1b Te1a Cu1b 3_544 . . 66.0(4) 65.1(4) 67.0(4) yes Eu1b Te1a Cu1a 3_554 . 1_545 136.92(16) 136.18(17) 137.51(16) yes Eu1b Te1a Cu1a 3_554 . . 65.76(16) 64.52(17) 67.07(17) yes Eu1b Te1a Cu1b 3_554 . 1_455 136.7(5) 136.4(5) 137.0(5) yes Eu1b Te1a Cu1b 3_554 . . 66.0(4) 65.1(4) 67.0(4) yes Cu1a Te1a Cu1a 1_545 . . 114.9(3) 113.6(3) 116.1(3) yes Cu1a Te1a Cu1b 1_545 . 1_455 73.3(5) 72.0(6) 74.3(6) yes Cu1a Te1a Cu1b 1_545 . . 73.2(5) 72.2(5) 74.3(6) yes Cu1a Te1a Cu1b . . 1_455 73.3(5) 72.0(6) 74.3(6) yes Cu1a Te1a Cu1b . . . 73.2(5) 72.2(5) 74.3(6) yes Cu1b Te1a Cu1b 1_455 . . 115.1(4) 113.6(3) 116.8(4) yes Eu1a Te1b Eu1a . . 1_565 84.87(9) 84.53(8) 85.19(9) yes Eu1a Te1b Eu1a . . 1_655 84.62(8) 84.23(8) 85.07(7) yes Eu1a Te1b Eu1a . . 1_665 145.10(11) 144.65(13) 145.57(12) yes Eu1a Te1b Cu1a . . . 66.6(2) 65.6(2) 67.8(2) yes Eu1a Te1b Cu1a . . 1_655 136.8(3) 135.5(3) 137.8(3) yes Eu1a Te1b Cu1b . . . 66.9(3) 65.7(3) 67.8(3) yes Eu1a Te1b Cu1b . . 1_565 137.1(2) 136.6(2) 137.5(2) yes Eu1a Te1b Eu1a 1_565 . 1_655 145.10(10) 144.65(12) 145.57(12) yes Eu1a Te1b Eu1a 1_565 . 1_665 84.60(8) 84.23(8) 85.07(7) yes Eu1a Te1b Cu1a 1_565 . . 66.5(2) 65.6(2) 67.8(2) yes Eu1a Te1b Cu1a 1_565 . 1_655 136.7(3) 135.5(3) 137.8(3) yes Eu1a Te1b Cu1b 1_565 . . 137.1(2) 136.6(2) 137.5(2) yes Eu1a Te1b Cu1b 1_565 . 1_565 66.8(3) 65.7(3) 67.8(3) yes Eu1a Te1b Eu1a 1_655 . 1_665 85.27(9) 85.02(13) 85.65(13) yes Eu1a Te1b Cu1a 1_655 . . 136.6(3) 135.1(3) 137.7(3) yes Eu1a Te1b Cu1a 1_655 . 1_655 66.6(2) 65.9(2) 67.3(2) yes Eu1a Te1b Cu1b 1_655 . . 66.2(3) 65.1(3) 67.0(3) yes Eu1a Te1b Cu1b 1_655 . 1_565 136.5(2) 136.0(2) 137.1(2) yes Eu1a Te1b Cu1a 1_665 . . 136.5(3) 135.1(3) 137.7(3) yes Eu1a Te1b Cu1a 1_665 . 1_655 66.6(2) 65.9(2) 67.3(2) yes Eu1a Te1b Cu1b 1_665 . . 136.5(2) 136.0(2) 137.1(2) yes Eu1a Te1b Cu1b 1_665 . 1_565 66.1(3) 65.2(3) 67.0(3) yes Cu1a Te1b Cu1a . . 1_655 113.4(3) 112.2(4) 113.9(4) yes Cu1a Te1b Cu1b . . . 72.7(3) 71.7(3) 73.4(3) yes Cu1a Te1b Cu1b . . 1_565 72.7(3) 71.7(3) 73.4(3) yes Cu1a Te1b Cu1b 1_655 . . 72.1(3) 70.9(3) 73.3(3) yes Cu1a Te1b Cu1b 1_655 . 1_565 72.1(3) 70.9(3) 73.3(3) yes Cu1b Te1b Cu1b . . 1_565 113.1(5) 111.2(5) 115.1(5) yes Eu1a Te2a Eu1a . . 1_565 80.53(11) 79.80(15) 80.86(12) yes Eu1a Te2a Eu1b . . 1_455 125.55(13) 121.25(12) 129.16(14) yes Eu1a Te2a Eu1b . . . 125.56(13) 122.12(15) 130.27(13) yes Eu1a Te2a Te2b . . 1_455 62.60(9) 60.54(9) 63.91(10) yes Eu1a Te2a Te2b . . 1_465 117.03(14) 113.09(19) 120.7(2) yes Eu1a Te2a Te2b . . . 62.48(9) 61.23(10) 63.90(10) yes Eu1a Te2a Te2b . . 1_565 117.14(14) 113.03(19) 120.6(2) yes Eu1a Te2a Eu1b 1_565 . 1_455 125.64(13) 121.25(12) 129.15(15) yes Eu1a Te2a Eu1b 1_565 . . 125.65(13) 122.11(15) 130.26(13) yes Eu1a Te2a Te2b 1_565 . 1_455 117.02(14) 113.09(18) 120.7(2) yes Eu1a Te2a Te2b 1_565 . 1_465 62.62(9) 60.54(9) 63.91(10) yes Eu1a Te2a Te2b 1_565 . . 117.18(14) 113.02(18) 120.6(2) yes Eu1a Te2a Te2b 1_565 . 1_565 62.55(9) 61.22(10) 63.90(9) yes Eu1b Te2a Eu1b 1_455 . . 80.42(9) 79.74(16) 81.07(16) yes Eu1b Te2a Te2b 1_455 . 1_455 62.96(10) 60.53(10) 65.89(10) yes Eu1b Te2a Te2b 1_455 . 1_465 63.03(10) 60.54(10) 65.88(10) yes Eu1b Te2a Te2b 1_455 . . 117.08(13) 114.86(12) 119.32(13) yes Eu1b Te2a Te2b 1_455 . 1_565 117.21(13) 114.87(12) 119.32(13) yes Eu1b Te2a Te2b . . 1_455 117.23(13) 114.64(12) 119.99(12) yes Eu1b Te2a Te2b . . 1_465 117.30(13) 114.65(12) 119.98(12) yes Eu1b Te2a Te2b . . . 63.09(10) 60.53(12) 66.44(10) yes Eu1b Te2a Te2b . . 1_565 63.11(10) 60.54(13) 66.45(10) yes Te2b Te2a Te2b 1_455 . 1_465 90.07(16) 84.71(19) 94.8(2) yes Te2b Te2a Te2b 1_455 . . 89.65(14) 86.64(14) 92.49(16) yes Te2b Te2a Te2b 1_455 . 1_565 177.45(18) 172.77(16) 179.90(18) yes Te2b Te2a Te2b 1_465 . . 177.48(18) 172.77(16) 180 yes Te2b Te2a Te2b 1_465 . 1_565 89.76(14) 86.62(14) 92.50(15) yes Te2b Te2a Te2b . . 1_565 90.51(16) 83.97(19) 96.1(2) yes Eu1a Te2b Eu1a . . 1_655 80.51(9) 79.84(15) 81.15(15) yes Eu1a Te2b Eu1b . . 1_545 125.83(12) 122.81(11) 128.88(11) yes Eu1a Te2b Eu1b . . . 125.83(12) 122.81(11) 128.88(11) yes Eu1a Te2b Te2a . . 1_545 63.18(10) 61.37(10) 65.57(10) yes Eu1a Te2b Te2a . . . 63.18(10) 61.37(10) 65.57(10) yes Eu1a Te2b Te2a . . 1_645 117.20(13) 115.76(12) 119.29(13) yes Eu1a Te2b Te2a . . 1_655 117.20(13) 115.76(12) 119.29(13) yes Eu1a Te2b Eu1b 1_655 . 1_545 125.38(12) 122.84(13) 128.93(11) yes Eu1a Te2b Eu1b 1_655 . . 125.38(12) 122.84(13) 128.93(11) yes Eu1a Te2b Te2a 1_655 . 1_545 117.22(13) 114.75(12) 119.47(12) yes Eu1a Te2b Te2a 1_655 . . 117.22(13) 114.75(12) 119.47(12) yes Eu1a Te2b Te2a 1_655 . 1_645 62.88(10) 60.74(10) 65.95(10) yes Eu1a Te2b Te2a 1_655 . 1_655 62.88(10) 60.74(10) 65.95(10) yes Eu1b Te2b Eu1b 1_545 . . 80.49(10) 80.34(9) 80.64(10) yes Eu1b Te2b Te2a 1_545 . 1_545 62.66(9) 61.24(9) 63.88(11) yes Eu1b Te2b Te2a 1_545 . . 117.33(13) 113.80(18) 119.7(2) yes Eu1b Te2b Te2a 1_545 . 1_645 62.51(9) 61.52(9) 63.23(9) yes Eu1b Te2b Te2a 1_545 . 1_655 116.90(13) 113.09(14) 119.44(11) yes Eu1b Te2b Te2a . . 1_545 117.33(13) 113.80(18) 119.7(2) yes Eu1b Te2b Te2a . . . 62.66(9) 61.24(9) 63.88(11) yes Eu1b Te2b Te2a . . 1_645 116.90(13) 113.09(14) 119.44(11) yes Eu1b Te2b Te2a . . 1_655 62.51(9) 61.52(9) 63.23(9) yes Te2a Te2b Te2a 1_545 . . 90.62(15) 85.50(19) 93.7(2) yes Te2a Te2b Te2a 1_545 . 1_645 89.65(14) 86.64(15) 92.49(16) yes Te2a Te2b Te2a 1_545 . 1_655 177.74(17) 174.28(17) 180 yes Te2a Te2b Te2a . . 1_645 177.74(17) 174.28(17) 180 yes Te2a Te2b Te2a . . 1_655 89.65(14) 86.64(15) 92.49(16) yes Te2a Te2b Te2a 1_645 . 1_655 90.07(15) 83.91(19) 94.50(15) yes Eu1a Cu1a Eu1a . . 1_565 84.6(2) 83.8(4) 85.4(4) yes Eu1a Cu1a Eu1b . . 3_454 122.6(3) 121.2(3) 124.0(3) yes Eu1a Cu1a Eu1b . . 3_554 123.4(3) 122.1(3) 124.5(3) yes Eu1a Cu1a Te1a . . . 80.23(19) 78.84(18) 81.70(18) yes Eu1a Cu1a Te1a . . 1_565 164.8(3) 163.4(3) 166.4(3) yes Eu1a Cu1a Te1b . . 1_455 65.8(2) 64.9(3) 66.4(2) yes Eu1a Cu1a Te1b . . . 66.2(2) 65.3(2) 67.2(2) yes Eu1a Cu1a Cu1b . . 1_455 61.4(3) 60.6(3) 62.2(3) yes Eu1a Cu1a Cu1b . . 1_465 118.5(4) 117.4(4) 119.9(4) yes Eu1a Cu1a Cu1b . . . 62.0(3) 61.0(3) 63.0(3) yes Eu1a Cu1a Cu1b . . 1_565 118.8(4) 117.9(4) 119.7(3) yes Eu1a Cu1a Eu1b 1_565 . 3_454 122.6(3) 121.2(3) 124.0(3) yes Eu1a Cu1a Eu1b 1_565 . 3_554 123.4(3) 122.1(3) 124.5(3) yes Eu1a Cu1a Te1a 1_565 . . 164.9(3) 163.4(3) 166.4(3) yes Eu1a Cu1a Te1a 1_565 . 1_565 80.16(19) 78.85(18) 81.71(19) yes Eu1a Cu1a Te1b 1_565 . 1_455 65.8(2) 64.9(2) 66.4(2) yes Eu1a Cu1a Te1b 1_565 . . 66.3(2) 65.3(2) 67.2(2) yes Eu1a Cu1a Cu1b 1_565 . 1_455 118.5(4) 117.4(4) 119.9(4) yes Eu1a Cu1a Cu1b 1_565 . 1_465 61.4(3) 60.6(3) 62.2(3) yes Eu1a Cu1a Cu1b 1_565 . . 118.9(4) 117.9(4) 119.7(3) yes Eu1a Cu1a Cu1b 1_565 . 1_565 62.0(3) 61.0(3) 63.0(3) yes Eu1b Cu1a Eu1b 3_454 . 3_554 85.1(2) 83.7(4) 86.4(4) yes Eu1b Cu1a Te1a 3_454 . . 66.6(2) 65.9(3) 67.29(19) yes Eu1b Cu1a Te1a 3_454 . 1_565 66.6(2) 65.9(3) 67.28(18) yes Eu1b Cu1a Te1b 3_454 . 1_455 80.4(3) 79.0(5) 81.5(5) yes Eu1b Cu1a Te1b 3_454 . . 166.2(4) 164.8(7) 167.1(5) yes Eu1b Cu1a Cu1b 3_454 . 1_455 61.3(3) 60.1(3) 62.1(3) yes Eu1b Cu1a Cu1b 3_454 . 1_465 61.2(3) 60.1(3) 62.1(3) yes Eu1b Cu1a Cu1b 3_454 . . 118.6(3) 118.0(3) 119.4(3) yes Eu1b Cu1a Cu1b 3_454 . 1_565 118.5(3) 118.0(3) 119.4(3) yes Eu1b Cu1a Te1a 3_554 . . 66.7(2) 65.8(3) 67.37(17) yes Eu1b Cu1a Te1a 3_554 . 1_565 66.7(2) 65.8(3) 67.36(17) yes Eu1b Cu1a Te1b 3_554 . 1_455 165.6(4) 165.1(3) 166.5(7) yes Eu1b Cu1a Te1b 3_554 . . 81.1(3) 79.8(5) 82.5(5) yes Eu1b Cu1a Cu1b 3_554 . 1_455 118.1(3) 117.4(3) 119.0(3) yes Eu1b Cu1a Cu1b 3_554 . 1_465 118.1(3) 117.4(3) 119.0(3) yes Eu1b Cu1a Cu1b 3_554 . . 61.4(3) 60.5(3) 62.7(3) yes Eu1b Cu1a Cu1b 3_554 . 1_565 61.3(3) 60.5(3) 62.6(3) yes Te1a Cu1a Te1a . . 1_565 115.0(3) 113.4(6) 116.0(3) yes Te1a Cu1a Te1b . . 1_455 106.9(3) 106.3(4) 108.0(4) yes Te1a Cu1a Te1b . . . 107.4(3) 106.5(4) 108.5(3) yes Te1a Cu1a Cu1b . . 1_455 52.9(3) 52.2(3) 53.8(3) yes Te1a Cu1a Cu1b . . 1_465 126.4(4) 125.2(5) 127.5(4) yes Te1a Cu1a Cu1b . . . 53.5(3) 52.6(3) 54.2(3) yes Te1a Cu1a Cu1b . . 1_565 126.6(4) 125.5(6) 128.1(5) yes Te1a Cu1a Te1b 1_565 . 1_455 106.9(3) 106.3(4) 108.0(4) yes Te1a Cu1a Te1b 1_565 . . 107.4(3) 106.5(4) 108.5(4) yes Te1a Cu1a Cu1b 1_565 . 1_455 126.5(4) 125.2(6) 127.5(4) yes Te1a Cu1a Cu1b 1_565 . 1_465 52.9(3) 52.2(3) 53.8(3) yes Te1a Cu1a Cu1b 1_565 . . 126.6(4) 125.5(5) 128.1(5) yes Te1a Cu1a Cu1b 1_565 . 1_565 53.5(3) 52.6(3) 54.2(3) yes Te1b Cu1a Te1b 1_455 . . 113.4(3) 112.2(6) 113.9(6) yes Te1b Cu1a Cu1b 1_455 . 1_455 54.0(3) 53.3(3) 54.9(3) yes Te1b Cu1a Cu1b 1_455 . 1_465 54.1(3) 53.3(3) 54.9(3) yes Te1b Cu1a Cu1b 1_455 . . 126.4(4) 125.1(4) 127.5(4) yes Te1b Cu1a Cu1b 1_455 . 1_565 126.5(4) 125.1(4) 127.5(4) yes Te1b Cu1a Cu1b . . 1_455 126.1(4) 125.0(4) 127.1(4) yes Te1b Cu1a Cu1b . . 1_465 126.1(4) 125.0(4) 127.1(4) yes Te1b Cu1a Cu1b . . . 53.9(3) 53.1(3) 54.8(3) yes Te1b Cu1a Cu1b . . 1_565 54.0(3) 53.1(3) 54.8(3) yes Cu1b Cu1a Cu1b 1_455 . 1_465 90.5(5) 89.2(6) 91.7(6) yes Cu1b Cu1a Cu1b 1_455 . . 89.8(5) 88.5(4) 90.9(4) yes Cu1b Cu1a Cu1b 1_455 . 1_565 179.4(5) 178.7(6) 180 yes Cu1b Cu1a Cu1b 1_465 . . 179.4(5) 178.7(6) 180 yes Cu1b Cu1a Cu1b 1_465 . 1_565 89.8(5) 88.5(4) 90.9(4) yes Cu1b Cu1a Cu1b . . 1_565 89.9(5) 88.8(6) 91.3(6) yes Eu1a Cu1b Eu1a . . 1_655 84.1(4) 83.1(3) 85.2(3) yes Eu1a Cu1b Eu1b . . 3_544 122.4(5) 120.5(5) 124.2(4) yes Eu1a Cu1b Eu1b . . 3_554 122.4(5) 120.5(5) 124.2(4) yes Eu1a Cu1b Te1a . . . 79.8(5) 78.3(8) 81.0(8) yes Eu1a Cu1b Te1a . . 1_655 165.0(7) 164.5(6) 165.5(6) yes Eu1a Cu1b Te1b . . 1_545 65.7(4) 64.7(3) 66.6(3) yes Eu1a Cu1b Te1b . . . 65.7(4) 64.7(3) 66.6(3) yes Eu1a Cu1b Cu1a . . 1_545 61.3(3) 60.2(3) 62.2(5) yes Eu1a Cu1b Cu1a . . . 61.3(3) 60.2(3) 62.2(5) yes Eu1a Cu1b Cu1a . . 1_645 118.2(5) 116.7(4) 119.4(5) yes Eu1a Cu1b Cu1a . . 1_655 118.2(5) 116.7(4) 119.4(5) yes Eu1a Cu1b Eu1b 1_655 . 3_544 123.6(5) 122.1(5) 125.2(4) yes Eu1a Cu1b Eu1b 1_655 . 3_554 123.6(5) 122.1(5) 125.2(4) yes Eu1a Cu1b Te1a 1_655 . . 163.8(7) 162.7(6) 164.9(6) yes Eu1a Cu1b Te1a 1_655 . 1_655 81.0(5) 80.0(8) 82.0(8) yes Eu1a Cu1b Te1b 1_655 . 1_545 66.0(4) 65.2(3) 66.8(3) yes Eu1a Cu1b Te1b 1_655 . . 66.0(4) 65.2(3) 66.8(3) yes Eu1a Cu1b Cu1a 1_655 . 1_545 117.9(5) 116.4(4) 119.3(5) yes Eu1a Cu1b Cu1a 1_655 . . 117.9(5) 116.4(4) 119.3(5) yes Eu1a Cu1b Cu1a 1_655 . 1_645 61.9(3) 61.2(3) 62.6(4) yes Eu1a Cu1b Cu1a 1_655 . 1_655 61.9(3) 61.2(3) 62.6(4) yes Eu1b Cu1b Eu1b 3_544 . 3_554 85.7(4) 84.7(3) 86.7(3) yes Eu1b Cu1b Te1a 3_544 . . 66.5(4) 65.5(3) 67.7(3) yes Eu1b Cu1b Te1a 3_544 . 1_655 67.1(4) 66.4(3) 68.3(3) yes Eu1b Cu1b Te1b 3_544 . 1_545 80.6(3) 78.5(3) 82.5(4) yes Eu1b Cu1b Te1b 3_544 . . 166.2(6) 163.6(6) 168.7(6) yes Eu1b Cu1b Cu1a 3_544 . 1_545 61.1(3) 59.3(3) 62.3(3) yes Eu1b Cu1b Cu1a 3_544 . . 118.5(6) 117.6(5) 119.8(5) yes Eu1b Cu1b Cu1a 3_544 . 1_645 61.7(3) 60.4(3) 63.0(3) yes Eu1b Cu1b Cu1a 3_544 . 1_655 119.4(6) 117.9(5) 120.5(4) yes Eu1b Cu1b Te1a 3_554 . . 66.5(4) 65.5(3) 67.7(3) yes Eu1b Cu1b Te1a 3_554 . 1_655 67.1(4) 66.4(3) 68.3(3) yes Eu1b Cu1b Te1b 3_554 . 1_545 166.2(6) 163.6(6) 168.7(6) yes Eu1b Cu1b Te1b 3_554 . . 80.6(3) 78.5(3) 82.5(4) yes Eu1b Cu1b Cu1a 3_554 . 1_545 118.5(6) 117.6(5) 119.8(5) yes Eu1b Cu1b Cu1a 3_554 . . 61.1(3) 59.3(3) 62.3(3) yes Eu1b Cu1b Cu1a 3_554 . 1_645 119.4(6) 117.9(5) 120.5(4) yes Eu1b Cu1b Cu1a 3_554 . 1_655 61.7(3) 60.4(3) 63.0(3) yes Te1a Cu1b Te1a . . 1_655 115.1(6) 113.6(4) 116.8(5) yes Te1a Cu1b Te1b . . 1_545 106.7(6) 105.6(5) 107.9(5) yes Te1a Cu1b Te1b . . . 106.7(6) 105.6(5) 107.9(5) yes Te1a Cu1b Cu1a . . 1_545 53.4(4) 53.0(3) 53.8(3) yes Te1a Cu1b Cu1a . . . 53.4(4) 53.0(3) 53.8(3) yes Te1a Cu1b Cu1a . . 1_645 126.7(5) 125.0(5) 128.3(5) yes Te1a Cu1b Cu1a . . 1_655 126.7(5) 125.0(5) 128.3(5) yes Te1a Cu1b Te1b 1_655 . 1_545 107.7(6) 106.3(5) 108.8(6) yes Te1a Cu1b Te1b 1_655 . . 107.7(6) 106.3(5) 108.8(6) yes Te1a Cu1b Cu1a 1_655 . 1_545 126.7(5) 124.8(5) 128.0(5) yes Te1a Cu1b Cu1a 1_655 . . 126.7(5) 124.8(5) 128.0(5) yes Te1a Cu1b Cu1a 1_655 . 1_645 53.8(4) 53.2(3) 54.2(3) yes Te1a Cu1b Cu1a 1_655 . 1_655 53.8(4) 53.2(3) 54.2(3) yes Te1b Cu1b Te1b 1_545 . . 113.1(6) 111.9(6) 114.4(5) yes Te1b Cu1b Cu1a 1_545 . 1_545 53.3(3) 52.6(3) 54.1(3) yes Te1b Cu1b Cu1a 1_545 . . 125.6(7) 124.4(5) 126.9(6) yes Te1b Cu1b Cu1a 1_545 . 1_645 53.9(3) 53.0(3) 55.0(3) yes Te1b Cu1b Cu1a 1_545 . 1_655 126.6(7) 126.0(6) 127.1(6) yes Te1b Cu1b Cu1a . . 1_545 125.6(7) 124.4(5) 126.9(6) yes Te1b Cu1b Cu1a . . . 53.3(3) 52.6(3) 54.1(3) yes Te1b Cu1b Cu1a . . 1_645 126.6(7) 126.0(6) 127.1(6) yes Te1b Cu1b Cu1a . . 1_655 53.9(3) 53.0(3) 55.0(3) yes Cu1a Cu1b Cu1a 1_545 . . 89.9(5) 89.1(9) 90.5(5) yes Cu1a Cu1b Cu1a 1_545 . 1_645 89.8(4) 88.5(4) 90.9(4) yes Cu1a Cu1b Cu1a 1_545 . 1_655 179.1(6) 178.1(6) 180 yes Cu1a Cu1b Cu1a . . 1_645 179.1(6) 178.1(6) 180 yes Cu1a Cu1b Cu1a . . 1_655 89.8(4) 88.5(4) 90.9(4) yes Cu1a Cu1b Cu1a 1_645 . 1_655 90.5(6) 90.1(9) 91.1(9) yes