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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 'Jana2000 Version : 22/12/2005' # 1. PROCESSING SUMMARY (IUCr Office Use Only) _journal_name_full 'Inorganic Chemistry' _journal_year 2008 _journal_volume 47 _journal_issue 3 _journal_page_first 1079 _journal_page_last 1086 _journal_paper_doi https://dx.doi.org/10.1021/ic701962b #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name 'Lidin, Sven' _publ_contact_author_address ;Inorganic Chemistry Arrhenius Laboratory Stockholm UniVersity S-106 91 Stockholm Sweden ; _publ_contact_author_email sven@inorg.su.se _publ_contact_author_fax ? _publ_contact_author_phone ? #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ;All the Disorder Mechanisms in the 13:58 Phases Come Together. Out of the Modulated Confusion Rises the Remarkable Phase Ce~12.60~Cd~58.68(2)~ ; loop_ _publ_author_name _publ_author_address 'Ying Piao, Shu' ;Inorganic Chemistry Arrhenius Laboratory Stockholm UniVersity S-106 91 Stockholm Sweden ; 'Palatinus, Lukas' ;Ecole Polytechnique Federale de Lausanne 1015 Lausanne Switzerland Institute of Physics of the ASCR v. v. i. Na Slovance 2 182 21 Prague Czech Republic ; 'Lidin, Sven' ;Inorganic Chemistry Arrhenius Laboratory Stockholm UniVersity S-106 91 Stockholm Sweden ; #======================================================================= # 4. TEXT _publ_section_references ; Petricek, V., Dusek, M. & Palatinus L. (2000). Jana2000. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. ; #======================================================================= # 5. CHEMICAL DATA _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Cd58.682 Ce12.599' _chemical_formula_weight 8361.8 _chemical_melting_point ? _chemical_compound_source ? #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_ssg_name 'Ccmm(\a00)00s' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 x1,1/2-x2,x3,x4 3 x1,x2,1/2-x3,1/2+x4 4 x1,1/2-x2,1/2-x3,1/2+x4 5 -x1,-x2,-x3,-x4 6 -x1,1/2+x2,-x3,-x4 7 -x1,-x2,1/2+x3,1/2-x4 8 -x1,1/2+x2,1/2+x3,1/2-x4 9 1/2+x1,1/2+x2,x3,x4 10 1/2+x1,-x2,x3,x4 11 1/2+x1,1/2+x2,1/2-x3,1/2+x4 12 1/2+x1,-x2,1/2-x3,1/2+x4 13 1/2-x1,1/2-x2,-x3,-x4 14 1/2-x1,x2,-x3,-x4 15 1/2-x1,1/2-x2,1/2+x3,1/2-x4 16 1/2-x1,x2,1/2+x3,1/2-x4 _cell_length_a 27.2789(14) _cell_length_b 15.75920(10) _cell_length_c 15.5816(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 6698.4(4) _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.66670 0.00000 0.00000 _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _exptl_crystal_type_of_structure mod _exptl_crystal_density_diffrn 8.2889 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 14190 _exptl_absorpt_coefficient_mu 26.503 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 0.35 _exptl_absorpt_correction_T_max 1.26 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ;The maximum transmission factor is outside the bounds (>1) ; _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number ? _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max ? _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_unetI/netI ? _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_limit_index_m_1_min ? _diffrn_reflns_limit_index_m_1_max ? _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _reflns_number_total 19149 _reflns_number_gt 10494 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0554 _refine_ls_wR_factor_gt 0.0574 _refine_ls_R_factor_all 0.0554 _refine_ls_wR_factor_ref 0.0574 _refine_ls_goodness_of_fit_ref 2.65 _refine_ls_goodness_of_fit_gt 2.65 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 10494 _refine_ls_number_parameters 404 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _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 0.0475 _refine_ls_shift/su_mean 0.0013 _refine_diff_density_max 5.67 _refine_diff_density_min -4.89 _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_versus_stol_list Ce -0.249 2.633 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 58.000 56.385 53.047 49.579 46.233 43.042 40.104 37.474 35.139 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 33.051 31.154 29.409 27.791 26.289 24.901 23.626 22.469 21.421 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 20.481 19.637 18.881 18.201 17.583 17.018 16.491 15.997 15.526 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 15.074 14.633 14.202 13.776 13.355 12.939 12.528 12.123 11.725 ; Cd -0.808 1.202 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' ; stol 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 f 48.000 47.085 44.797 41.923 38.930 36.007 33.251 30.725 28.468 stol 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 f 26.492 24.784 23.320 22.063 20.978 20.027 19.182 18.405 17.687 stol 0.90 0.95 1.00 1.05 1.10 1.15 1.20 1.25 1.30 f 17.000 16.342 15.698 15.069 14.451 13.846 13.253 12.675 12.116 stol 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 f 11.576 11.060 10.567 10.101 9.661 9.249 8.863 8.505 8.173 ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement '(Jana2000; Petricek and Dusek, 2000)' _computing_molecular_graphics ? _computing_publication_material '(Jana2000; Petricek and Dusek, 2000)' loop_ _reflns_class_code _reflns_class_description _reflns_class_number_gt _reflns_class_R_factor_gt Main 'Main reflections' 5008 0.0374 Sat1 '1st-order satellites' 5486 0.0954 #======================================================================= # 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 Ce1a Ce -0.02061(3) 0.43447(5) -0.25 Uani 0.0137(3) 8 1 d . . . Ce1b Ce 0.29458(4) -0.25 -0.25 Uani 0.0124(4) 4 1 d . . . Ce2a Ce 0.14714(2) -0.06154(3) -0.05258(4) Uani 0.01186(18) 16 1 d . . . Ce2b Ce 0.45511(3) 0.25 -0.05447(6) Uani 0.0116(2) 8 1 d . . . Ce3a Ce -0.18734(4) -0.06062(6) -0.23197(13) Uani 0.0206(6) 16 0.5 d . . . Ce3b Ce 0.6267(3) -0.25 -0.2821(7) Uani 0.0179(5) 8 0.5 d . . . Ce4 Ce 0.25 0.25 0 Uani 0.0142(6) 4 0.5987(14) d . . . Cd1a Cd 0.56620(4) 0.90216(6) -0.09580(7) Uani 0.0205(4) 16 0.976(4) d . . . Cd1b Cd 0.26811(5) -0.0861(2) -0.10207(10) Uani 0.0390(6) 16 0.5987(14) d . . . Cd1b2 Cd 0.26795(5) -0.11022(15) -0.09900(11) Uani 0.0192(6) 16 0.4013(14) d . . . Cd1c Cd 0.0726(4) 0.4636(7) 1.0908(12) Uani 0.0277(8) 16 0.4013(14) d . . . Cd1c2 Cd 0.0889(2) 0.4471(3) 1.1017(4) Uani 0.0213(5) 16 0.5987(14) d . . . Cd2 Cd 0.08202(6) 0.75 -0.75 Uani 0.0181(5) 4 1 d . . . Cd3 Cd 0.08248(4) 0.75 -0.09481(8) Uani 0.0146(3) 8 1 d . . . Cd4a Cd 0.20114(4) 0.10194(6) -0.15644(7) Uani 0.0254(3) 16 1 d . . . Cd4b Cd 0.34777(5) 0.25 -0.15864(9) Uani 0.0220(5) 8 1 d . . . Cd5a Cd 0.15510(13) 0.3457(2) 0.9992(3) Uani 0.0244(5) 16 0.5987(14) d . . . Cd5a2 Cd 0.1654(5) 0.3854(9) 1.0582(13) Uani 0.0505(10) 16 0.4013(14) d . . . Cd5b Cd 0.2587(3) 0.0540(5) -0.0251(7) Uani 0.0292(6) 16 0.5 d . . . Cd6a Cd 0.20899(4) -0.07506(7) -0.25 Uani 0.0162(3) 8 1 d . . . Cd6b Cd 0.43161(4) 0.35502(7) -0.25 Uani 0.0193(4) 8 1 d . . . Cd6c Cd 0.39263(4) 0.47136(6) 0.25 Uani 0.0180(3) 8 1 d . . . Cd7a Cd 0.03052(3) -0.40872(5) -0.14002(6) Uani 0.0172(2) 16 1 d . . . Cd7b Cd 0.68816(4) 0.25 -0.14441(8) Uani 0.0154(3) 8 1 d . . . Cd8a Cd -0.04765(3) 0.35230(5) -0.05012(6) Uani 0.0214(3) 16 1 d . . . Cd8b Cd 0.35230(5) -0.25 -0.05273(8) Uani 0.0182(4) 8 1 d . . . Cd9a Cd -0.13135(3) 0.10111(5) -0.15821(5) Uani 0.0144(2) 16 1 d . . . Cd9b Cd 0.51721(4) -0.25 -0.15800(7) Uani 0.0141(3) 8 1 d . . . Cd10a Cd 0.11416(4) -0.15268(6) -0.25 Uani 0.0152(3) 8 1 d . . . Cd10b Cd 0.48241(6) 0.75 0.25 Uani 0.0156(5) 4 1 d . . . Cd11 Cd 0.24931(7) 0.25 -0.25 Uani 0.0334(9) 4 1 d . . . Cd12a Cd 0.5 0 0 Uani 0.0390(9) 8 0.585(6) d . . . Cd12b Cd 0.25 0.75 0 Uani 0.0414(10) 4 1 d . . . Cd13 Cd 0.24985(10) 0.25 -0.09140(19) Uani 0.0268(9) 8 0.4013(14) d . . . Cd14 Cd 0.86762(11) 0.75 0.0811(2) Uani 0.0676(16) 8 0.4013(14) 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 Ce1a Ce 0.0113(4) 0.0116(4) 0.0182(5) -0.0023(3) 0 0 Ce1b Ce 0.0066(7) 0.0135(5) 0.0171(8) 0 0 0 Ce2a Ce 0.0106(3) 0.0130(3) 0.0120(3) -0.0017(2) -0.0001(3) -0.0001(2) Ce2b Ce 0.0096(4) 0.0127(4) 0.0125(5) 0 0.0003(4) 0 Ce3a Ce 0.0115(5) 0.0118(4) 0.0385(16) -0.0010(4) -0.0026(6) -0.0033(5) Ce3b Ce 0.0090(8) 0.0136(6) 0.0311(13) 0 -0.0064(8) 0 Ce4 Ce 0.0117(12) 0.0107(8) 0.0202(12) 0 -0.0008(11) 0 Cd1a Cd 0.0242(8) 0.0170(7) 0.0202(7) -0.0070(6) -0.0061(7) 0.0044(6) Cd1b Cd 0.0140(7) 0.0833(14) 0.0197(9) 0.0089(7) -0.0038(6) -0.0148(7) Cd1b2 Cd 0.0092(7) 0.0271(12) 0.0213(10) 0.0002(6) -0.0005(7) -0.0075(7) Cd1c Cd 0.0326(16) 0.0197(10) 0.0307(14) -0.0128(10) 0.0181(13) -0.0096(9) Cd1c2 Cd 0.0271(10) 0.0183(7) 0.0184(8) -0.0087(7) 0.0060(8) -0.0022(6) Cd2 Cd 0.0111(8) 0.0109(6) 0.0322(11) 0 0 0 Cd3 Cd 0.0137(6) 0.0145(5) 0.0157(6) 0 -0.0003(5) 0 Cd4a Cd 0.0286(7) 0.0230(5) 0.0245(6) -0.0023(5) 0.0026(6) 0.0052(4) Cd4b Cd 0.0169(9) 0.0275(6) 0.0215(8) 0 -0.0053(7) 0 Cd5a Cd 0.0133(7) 0.0213(6) 0.0385(10) 0.0013(6) 0.0057(7) 0.0120(6) Cd5a2 Cd 0.0455(15) 0.0478(15) 0.058(2) 0.0123(12) 0.0179(15) 0.0316(15) Cd5b Cd 0.0253(10) 0.0215(7) 0.0409(14) 0.0019(7) -0.0181(9) 0.0020(7) Cd6a Cd 0.0117(6) 0.0206(5) 0.0162(7) -0.0009(5) 0 0 Cd6b Cd 0.0181(6) 0.0195(5) 0.0203(7) 0.0004(5) 0 0 Cd6c Cd 0.0169(6) 0.0180(5) 0.0192(7) 0.0017(5) 0 0 Cd7a Cd 0.0139(4) 0.0152(4) 0.0226(5) -0.0020(3) 0.0000(4) -0.0030(3) Cd7b Cd 0.0109(6) 0.0175(5) 0.0179(6) 0 0.0002(5) 0 Cd8a Cd 0.0181(5) 0.0286(4) 0.0174(5) 0.0092(4) 0.0022(4) 0.0045(4) Cd8b Cd 0.0233(9) 0.0129(5) 0.0184(7) 0 -0.0043(7) 0 Cd9a Cd 0.0133(4) 0.0169(4) 0.0131(5) 0.0006(3) 0.0005(4) 0.0002(3) Cd9b Cd 0.0146(7) 0.0141(5) 0.0135(6) 0 -0.0010(5) 0 Cd10a Cd 0.0148(6) 0.0153(5) 0.0154(6) -0.0023(5) 0 0 Cd10b Cd 0.0118(8) 0.0193(7) 0.0158(9) 0 0 0 Cd11 Cd 0.0124(9) 0.0143(8) 0.074(2) 0 0 0 Cd12a Cd 0.0459(17) 0.0313(14) 0.0396(18) -0.0115(11) 0.0083(13) 0.0115(11) Cd12b Cd 0.0213(15) 0.0743(16) 0.029(2) 0 -0.0019(14) 0 Cd13 Cd 0.0297(16) 0.0310(14) 0.0197(17) 0 -0.0009(14) 0 Cd14 Cd 0.0180(16) 0.149(4) 0.036(2) 0 0.0075(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 0.66670 0.00000 0.00000 2 1.33340 0.00000 0.00000 loop_ _atom_site_occ_Fourier_id _atom_site_occ_Fourier_atom_site_label _atom_site_occ_Fourier_wave_vector_seq_id Ce3ao1 Ce3a 1 Ce3bo1 Ce3b 1 Ce4o1 Ce4 1 Ce4o2 Ce4 2 Cd1ao1 Cd1a 1 Cd1bo1 Cd1b 1 Cd1b2o1 Cd1b2 1 Cd1co1 Cd1c 1 Cd1c2o1 Cd1c2 1 Cd5ao1 Cd5a 1 Cd5a2o1 Cd5a2 1 Cd5bo1 Cd5b 1 Cd5bo2 Cd5b 2 Cd12ao1 Cd12a 1 Cd13o1 Cd13 1 Cd13o2 Cd13 2 Cd14o1 Cd14 1 loop_ _atom_site_occ_Fourier_param_id _atom_site_occ_Fourier_param_cos _atom_site_occ_Fourier_param_sin Ce3ao1 0.152(5) -0.557(7) Ce3bo1 -0.320(5) -0.509(5) Ce4o1 -0.434(4) 0 Ce4o2 -0.021(11) 0 Cd1ao1 0.031(4) 0.098(4) Cd1bo1 -0.017(5) 0.790(14) Cd1b2o1 0.016(5) -0.790(14) Cd1co1 -0.565(10) -0.220(10) Cd1c2o1 0.549(10) 0.258(10) Cd5ao1 0.335(3) 0.456(3) Cd5a2o1 -0.315(3) -0.470(3) Cd5bo1 0.015(4) -0.609(6) Cd5bo2 0.043(12) 0.035(14) Cd12ao1 0.557(6) 0 Cd13o1 0.434(4) 0 Cd13o2 -0.021(11) 0 Cd14o1 -0.425(7) 0.336(7) 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 Ce1ax1 Ce1a x 1 Ce1ay1 Ce1a y 1 Ce1az1 Ce1a z 1 Ce1bx1 Ce1b x 1 Ce1by1 Ce1b y 1 Ce1bz1 Ce1b z 1 Ce1bx2 Ce1b x 2 Ce1by2 Ce1b y 2 Ce1bz2 Ce1b z 2 Ce2ax1 Ce2a x 1 Ce2ay1 Ce2a y 1 Ce2az1 Ce2a z 1 Ce2bx1 Ce2b x 1 Ce2by1 Ce2b y 1 Ce2bz1 Ce2b z 1 Ce3bx1 Ce3b x 1 Ce3by1 Ce3b y 1 Ce3bz1 Ce3b z 1 Ce4x1 Ce4 x 1 Ce4y1 Ce4 y 1 Ce4z1 Ce4 z 1 Cd1ax1 Cd1a x 1 Cd1ay1 Cd1a y 1 Cd1az1 Cd1a z 1 Cd1ax2 Cd1a x 2 Cd1ay2 Cd1a y 2 Cd1az2 Cd1a z 2 Cd1cx1 Cd1c x 1 Cd1cy1 Cd1c y 1 Cd1cz1 Cd1c z 1 Cd1c2x1 Cd1c2 x 1 Cd1c2y1 Cd1c2 y 1 Cd1c2z1 Cd1c2 z 1 Cd2x1 Cd2 x 1 Cd2y1 Cd2 y 1 Cd2z1 Cd2 z 1 Cd3x1 Cd3 x 1 Cd3y1 Cd3 y 1 Cd3z1 Cd3 z 1 Cd4ax1 Cd4a x 1 Cd4ay1 Cd4a y 1 Cd4az1 Cd4a z 1 Cd4bx1 Cd4b x 1 Cd4by1 Cd4b y 1 Cd4bz1 Cd4b z 1 Cd4bx2 Cd4b x 2 Cd4by2 Cd4b y 2 Cd4bz2 Cd4b z 2 Cd5ax1 Cd5a x 1 Cd5ay1 Cd5a y 1 Cd5az1 Cd5a z 1 Cd5a2x1 Cd5a2 x 1 Cd5a2y1 Cd5a2 y 1 Cd5a2z1 Cd5a2 z 1 Cd5bx1 Cd5b x 1 Cd5by1 Cd5b y 1 Cd5bz1 Cd5b z 1 Cd6ax1 Cd6a x 1 Cd6ay1 Cd6a y 1 Cd6az1 Cd6a z 1 Cd6bx1 Cd6b x 1 Cd6by1 Cd6b y 1 Cd6bz1 Cd6b z 1 Cd6cx1 Cd6c x 1 Cd6cy1 Cd6c y 1 Cd6cz1 Cd6c z 1 Cd7ax1 Cd7a x 1 Cd7ay1 Cd7a y 1 Cd7az1 Cd7a z 1 Cd7bx1 Cd7b x 1 Cd7by1 Cd7b y 1 Cd7bz1 Cd7b z 1 Cd8ax1 Cd8a x 1 Cd8ay1 Cd8a y 1 Cd8az1 Cd8a z 1 Cd8bx1 Cd8b x 1 Cd8by1 Cd8b y 1 Cd8bz1 Cd8b z 1 Cd8bx2 Cd8b x 2 Cd8by2 Cd8b y 2 Cd8bz2 Cd8b z 2 Cd9ax1 Cd9a x 1 Cd9ay1 Cd9a y 1 Cd9az1 Cd9a z 1 Cd9bx1 Cd9b x 1 Cd9by1 Cd9b y 1 Cd9bz1 Cd9b z 1 Cd9bx2 Cd9b x 2 Cd9by2 Cd9b y 2 Cd9bz2 Cd9b z 2 Cd10ax1 Cd10a x 1 Cd10ay1 Cd10a y 1 Cd10az1 Cd10a z 1 Cd10bx1 Cd10b x 1 Cd10by1 Cd10b y 1 Cd10bz1 Cd10b z 1 Cd11x1 Cd11 x 1 Cd11y1 Cd11 y 1 Cd11z1 Cd11 z 1 Cd12ax1 Cd12a x 1 Cd12ay1 Cd12a y 1 Cd12az1 Cd12a z 1 Cd12bx1 Cd12b x 1 Cd12by1 Cd12b y 1 Cd12bz1 Cd12b z 1 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Ce1ax1 0 0 Ce1ay1 0 0 Ce1az1 0.00679(12) -0.00255(12) Ce1bx1 0 0 Ce1by1 0 0 Ce1bz1 -0.00147(18) 0.01020(17) Ce1bx2 0.0013(2) -0.0015(2) Ce1by2 0 0 Ce1bz2 0 0 Ce2ax1 -0.00060(4) -0.00072(4) Ce2ay1 0.00356(6) 0.00199(7) Ce2az1 0.00043(8) -0.00038(8) Ce2bx1 0.00005(6) -0.00015(6) Ce2by1 0 0 Ce2bz1 0.00298(12) -0.00125(12) Ce3bx1 -0.0015(2) 0.0008(3) Ce3by1 0 0 Ce3bz1 0.0043(6) 0.0051(9) Ce4x1 0 0.00732(14) Ce4y1 0 0 Ce4z1 0 -0.0002(3) Cd1ax1 0.00311(6) -0.00371(7) Cd1ay1 -0.00630(9) 0.00301(10) Cd1az1 -0.00497(13) 0.00070(13) Cd1ax2 -0.00413(15) -0.00410(15) Cd1ay2 0.0070(3) 0.0057(3) Cd1az2 0.0021(4) 0.0036(4) Cd1cx1 0.0043(6) 0.0019(3) Cd1cy1 0.0030(9) 0.0014(5) Cd1cz1 0.0030(15) -0.0013(7) Cd1c2x1 -0.0024(3) -0.0049(2) Cd1c2y1 0.0016(5) 0.0048(3) Cd1c2z1 -0.0009(6) -0.0048(3) Cd2x1 0 0 Cd2y1 0 0 Cd2z1 0.0020(2) 0.0016(2) Cd3x1 0.00127(7) 0.00085(7) Cd3y1 0 0 Cd3z1 -0.00072(15) -0.00060(16) Cd4ax1 0.00216(7) 0.01059(6) Cd4ay1 -0.00396(10) -0.00721(9) Cd4az1 -0.00420(12) 0.00538(12) Cd4bx1 0.00192(8) 0.00143(8) Cd4by1 0 0 Cd4bz1 -0.00067(17) -0.01025(16) Cd4bx2 0.0039(2) 0.0010(2) Cd4by2 0 0 Cd4bz2 -0.0008(5) 0.0007(5) Cd5ax1 0.00227(14) -0.00592(17) Cd5ay1 -0.0019(3) 0.0023(3) Cd5az1 0.0001(3) -0.0078(4) Cd5a2x1 0.0046(4) 0.0026(6) Cd5a2y1 -0.0038(8) -0.0015(11) Cd5a2z1 0.0075(11) 0.0060(15) Cd5bx1 -0.00142(12) 0.0023(5) Cd5by1 0.00481(17) 0.0016(7) Cd5bz1 0.0014(2) -0.0004(11) Cd6ax1 0 0 Cd6ay1 0 0 Cd6az1 -0.00133(15) -0.00273(15) Cd6bx1 0 0 Cd6by1 0 0 Cd6bz1 -0.00547(16) -0.00193(16) Cd6cx1 0 0 Cd6cy1 0 0 Cd6cz1 0.00367(15) 0.00076(15) Cd7ax1 0.00008(6) 0.00003(5) Cd7ay1 0.00426(9) -0.00006(8) Cd7az1 -0.00399(11) -0.00032(12) Cd7bx1 -0.00093(7) -0.00125(8) Cd7by1 0 0 Cd7bz1 0.00039(15) -0.00175(15) Cd8ax1 -0.00386(6) 0.00103(6) Cd8ay1 -0.00511(9) 0.00384(10) Cd8az1 0.00071(11) -0.00005(12) Cd8bx1 -0.00448(9) 0.00836(9) Cd8by1 0 0 Cd8bz1 0.00344(16) -0.00511(16) Cd8bx2 -0.00005(16) -0.00270(17) Cd8by2 0 0 Cd8bz2 0.0001(5) 0.0014(4) Cd9ax1 -0.00074(5) -0.00026(5) Cd9ay1 0.00383(9) -0.00491(8) Cd9az1 0.00000(11) -0.00100(11) Cd9bx1 -0.00423(8) -0.00240(8) Cd9by1 0 0 Cd9bz1 -0.00007(14) 0.00095(15) Cd9bx2 0.00068(19) 0.00054(19) Cd9by2 0 0 Cd9bz2 -0.0001(6) -0.0011(6) Cd10ax1 0 0 Cd10ay1 0 0 Cd10az1 -0.00080(15) -0.00137(15) Cd10bx1 0 0 Cd10by1 0 0 Cd10bz1 0.0009(2) 0.0004(2) Cd11x1 0 0 Cd11y1 0 0 Cd11z1 -0.0268(3) -0.0024(3) Cd12ax1 0 -0.00698(16) Cd12ay1 0 0.0111(2) Cd12az1 0 0.0044(3) Cd12bx1 0 0.01209(13) Cd12by1 0 0 Cd12bz1 0 -0.0245(3) #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_include_status 1 1 -19 0 1560.7 1434.1 278.6 o 10 0 -18 0 36337.3 33517.4 971.7 o 10 0 -18 1 2960.6 2326.4 279.9 o 12 0 -18 -1 1867.6 1593.5 276.2 o 1 1 -18 0 1108.1 944.1 174.9 o 1 1 -18 1 946.2 733.0 231.2 o 11 1 -18 0 12536.4 12950.3 380.2 o 0 2 -18 1 1431.1 1393.3 170.0 o 2 2 -18 -1 1308.3 1080.8 247.3 o 2 2 -18 0 5643.4 6324.9 293.2 o 10 2 -18 0 2938.2 2935.8 275.0 o 1 3 -18 -1 578.3 587.8 177.8 o 1 3 -18 0 9649.9 7366.6 390.9 o 11 3 -18 0 1423.8 8395.9 244.4 o 2 4 -18 0 3020.1 4005.8 262.8 o 3 5 -18 -1 982.8 684.9 265.5 o 2 6 -18 0 2028.8 2276.4 283.0 o 1 7 -18 0 4773.1 4578.3 307.6 o 3 7 -18 0 997.8 1555.5 309.4 o 2 0 -17 0 8584.1 8142.5 352.4 o 2 0 -17 1 1248.1 1492.4 220.3 o 8 0 -17 1 2692.5 1706.8 244.4 o 10 0 -17 0 21136.7 18877.5 647.8 o 10 0 -17 1 2534.2 1628.4 255.1 o 12 0 -17 -1 889.5 749.0 252.4 o 1 1 -17 0 7231.0 7205.5 249.1 o 9 1 -17 0 1458.1 1569.4 173.3 o 11 1 -17 0 2929.5 3273.4 192.6 o 13 1 -17 0 3613.4 3261.7 204.3 o 13 1 -17 1 971.9 722.6 189.5 o 0 2 -17 1 1373.9 1096.4 155.6 o 12 2 -17 0 2874.5 3155.5 278.5 o 1 3 -17 -1 614.1 395.5 157.6 o 1 3 -17 0 1960.5 1906.3 167.5 o 1 3 -17 1 667.3 469.7 150.6 o 3 3 -17 0 2104.7 2184.8 235.4 o 11 3 -17 0 15006.9 14383.2 526.9 o 13 3 -17 0 1141.7 794.5 283.3 o 2 4 -17 0 1116.7 874.4 230.0 o 2 4 -17 1 1538.7 1221.0 234.2 o 10 4 -17 0 17412.1 17114.4 578.2 o 1 5 -17 0 19267.7 18796.6 502.0 o 9 5 -17 0 1406.3 1939.0 273.4 o 9 5 -17 1 818.2 1096.9 257.1 o 11 5 -17 -1 971.8 961.0 271.0 o 2 6 -17 -1 816.3 337.2 175.7 o 2 6 -17 0 534.7 443.9 171.0 o 2 6 -17 1 1906.9 1974.3 179.3 o 4 6 -17 0 2155.6 2522.3 193.3 o 10 6 -17 0 1230.4 1535.0 296.2 o 1 7 -17 0 13492.9 14168.9 394.8 o 3 7 -17 0 1175.8 1492.5 194.9 o 5 7 -17 0 1004.1 902.8 300.0 o 7 7 -17 0 2181.5 2144.6 337.0 o 9 7 -17 0 3764.5 4291.1 251.1 o 11 7 -17 -1 1248.2 790.4 412.8 o 0 8 -17 1 907.8 956.9 195.3 o 2 8 -17 -1 941.2 1219.9 198.5 o 4 8 -17 0 982.2 1097.5 208.3 o 6 8 -17 0 4072.7 3828.6 343.6 o 3 9 -17 0 4038.2 3900.8 313.2 o 2 0 -16 0 7630.4 5651.9 320.2 o 8 0 -16 -1 998.2 1067.5 212.5 o 10 0 -16 1 825.8 722.8 228.3 o 12 0 -16 0 5198.7 3637.3 296.9 o 14 0 -16 0 2577.8 3176.0 264.0 o 16 0 -16 0 15450.0 12797.8 556.6 o 1 1 -16 0 2418.0 2042.6 154.1 o 7 1 -16 0 2478.6 2317.5 215.4 o 9 1 -16 1 1454.2 1051.9 223.9 o 11 1 -16 -1 1010.8 840.0 229.4 o 11 1 -16 0 6664.6 6756.5 327.8 o 11 1 -16 1 846.1 872.4 248.5 o 13 1 -16 -1 1256.0 939.0 244.4 o 15 1 -16 0 3299.1 3821.0 204.2 o 6 2 -16 1 667.8 595.5 202.7 o 8 2 -16 0 6548.6 5369.8 309.0 o 8 2 -16 1 2000.2 1997.6 225.0 o 10 2 -16 -1 1021.4 827.8 227.8 o 10 2 -16 0 2276.7 2888.7 241.5 o 12 2 -16 -1 1076.1 1025.2 245.0 o 12 2 -16 0 1682.0 1260.7 260.0 o 16 2 -16 0 2163.2 2985.9 295.1 o 1 3 -16 0 625.3 833.9 145.1 o 1 3 -16 1 1892.8 1502.7 150.5 o 3 3 -16 -1 482.5 234.7 134.2 o 3 3 -16 0 1331.7 1198.9 216.0 o 7 3 -16 0 8515.7 8676.4 350.4 o 9 3 -16 0 23797.2 21259.1 696.0 o 11 3 -16 0 1354.4 1231.2 255.0 o 11 3 -16 1 725.2 747.4 241.8 o 0 4 -16 1 675.8 784.6 149.6 o 2 4 -16 0 1587.4 1992.2 156.9 o 2 4 -16 1 1598.8 1462.3 220.7 o 12 4 -16 0 8899.8 8034.8 395.3 o 14 4 -16 1 840.9 795.5 275.1 o 1 5 -16 0 9344.5 9558.2 262.2 o 1 5 -16 1 548.1 541.8 119.6 o 5 5 -16 1 938.2 1260.1 267.3 o 7 5 -16 0 1989.0 3070.9 238.6 o 7 5 -16 1 1132.7 983.4 230.9 o 9 5 -16 -1 1838.6 1446.4 235.6 o 9 5 -16 0 6873.5 6024.2 332.2 o 11 5 -16 -1 1703.8 1481.0 253.3 o 11 5 -16 0 1705.6 1729.0 272.2 o 4 6 -16 0 4048.9 5087.0 196.1 o 6 6 -16 0 7629.7 5824.2 363.5 o 10 6 -16 1 1490.4 1016.2 227.9 o 12 6 -16 0 775.1 572.9 251.2 o 14 6 -16 -1 1180.5 1465.3 298.7 o 1 7 -16 -1 675.0 638.0 140.8 o 3 7 -16 -1 599.2 457.8 178.9 o 3 7 -16 0 648.7 588.6 173.9 o 5 7 -16 -1 582.1 794.5 176.0 o 7 7 -16 0 3583.6 4001.7 317.2 o 9 7 -16 0 2215.9 2195.5 225.3 o 9 7 -16 1 841.0 465.6 223.2 o 11 7 -16 -1 848.1 742.6 232.5 o 11 7 -16 0 4121.1 4076.4 255.7 o 11 7 -16 1 2962.1 2160.6 255.0 o 13 7 -16 -1 1335.6 708.0 262.5 o 2 8 -16 0 883.2 723.5 190.6 o 6 8 -16 0 6120.5 6138.9 352.3 o 6 8 -16 1 2854.4 2522.3 317.3 o 8 8 -16 0 3047.8 2771.1 226.3 o 8 8 -16 1 832.2 1015.7 216.6 o 10 8 -16 -1 753.2 590.1 225.4 o 1 9 -16 1 915.1 1030.7 185.0 o 5 9 -16 0 3868.5 4496.0 221.4 o 7 9 -16 0 1716.9 2073.9 338.0 o 9 9 -16 0 9028.5 8597.1 404.7 o 2 10 -16 1 1544.8 1412.4 279.6 o 4 10 -16 0 1887.8 1704.9 295.0 o 0 0 -15 1 785.2 988.7 179.9 o 4 0 -15 -1 1242.8 1535.6 194.6 o 4 0 -15 0 23186.2 20283.9 638.4 o 6 0 -15 0 98255.7 89883.6 2167.8 o 8 0 -15 0 6657.8 5500.1 303.3 o 10 0 -15 0 2085.6 1817.3 221.5 o 12 0 -15 0 4399.6 3983.3 269.2 o 14 0 -15 0 1930.9 1414.0 245.0 o 16 0 -15 -1 1131.4 1357.2 248.0 o 16 0 -15 0 886.9 553.7 257.5 o 1 1 -15 0 2246.5 2378.4 143.4 o 3 1 -15 -1 874.8 741.3 130.7 o 3 1 -15 0 1035.2 971.8 137.7 o 7 1 -15 -1 1025.8 505.4 196.4 o 7 1 -15 0 4618.9 4201.7 249.9 o 7 1 -15 1 1617.7 1908.5 197.1 o 9 1 -15 0 5034.0 4826.8 272.7 o 11 1 -15 0 5466.1 5158.1 291.7 o 15 1 -15 0 3981.0 4228.1 273.5 o 17 1 -15 0 1812.2 1427.9 281.7 o 2 2 -15 -1 491.0 480.6 126.1 o 2 2 -15 0 39025.6 37225.6 878.4 o 8 2 -15 0 835.3 750.0 211.7 o 12 2 -15 0 5667.8 6011.5 308.5 o 14 2 -15 0 5432.4 5569.3 314.8 o 16 2 -15 0 2381.2 2621.5 274.4 o 18 2 -15 0 4738.8 3987.4 320.0 o 1 3 -15 1 703.9 520.5 136.7 o 3 3 -15 0 100879.8 96617.8 2116.9 o 5 3 -15 0 765.2 735.3 137.1 o 5 3 -15 1 544.5 552.4 176.5 o 9 3 -15 -1 684.2 734.6 204.1 o 9 3 -15 0 1342.9 1117.2 225.1 o 9 3 -15 1 2187.6 2245.1 227.4 o 13 3 -15 0 14957.8 13886.0 534.2 o 15 3 -15 0 30080.0 27681.1 873.3 o 17 3 -15 0 11777.9 10797.1 492.8 o 2 4 -15 0 1567.6 1713.6 117.7 o 4 4 -15 0 3648.5 3949.8 166.8 o 6 4 -15 0 10317.1 9475.6 311.9 o 10 4 -15 0 2335.5 2523.4 237.5 o 12 4 -15 0 1371.7 821.9 249.7 o 14 4 -15 0 1466.3 1375.5 260.6 o 16 4 -15 0 2423.4 2173.7 301.7 o 1 5 -15 0 526.6 399.3 117.8 o 1 5 -15 1 898.4 836.9 121.8 o 3 5 -15 -1 793.5 657.1 117.0 o 3 5 -15 0 4762.5 4661.6 192.4 o 3 5 -15 1 783.7 674.7 150.4 o 5 5 -15 -1 572.3 662.7 145.7 o 5 5 -15 0 2313.5 2528.8 161.1 o 5 5 -15 1 940.7 1089.4 122.6 o 7 5 -15 -1 1275.6 1297.5 159.0 o 7 5 -15 0 4063.4 3955.1 189.3 o 7 5 -15 1 1617.4 1644.0 177.4 o 9 5 -15 -1 1314.0 1538.5 177.6 o 9 5 -15 0 3517.6 4013.1 196.3 o 11 5 -15 0 26472.5 22983.8 674.4 o 11 5 -15 1 973.2 1091.8 251.7 o 0 6 -15 1 2683.8 3163.8 134.7 o 2 6 -15 0 1672.5 1544.6 130.6 o 4 6 -15 0 3349.9 3283.5 174.9 o 6 6 -15 0 7236.2 7193.6 224.2 o 8 6 -15 0 1255.7 1325.2 189.4 o 10 6 -15 0 980.7 852.9 205.0 o 12 6 -15 0 22668.2 22646.6 705.8 o 1 7 -15 -1 773.2 758.7 159.0 o 1 7 -15 0 4167.3 4606.8 192.4 o 3 7 -15 -1 507.6 1011.9 159.3 o 3 7 -15 0 3619.7 4300.9 181.0 o 5 7 -15 -1 643.8 672.0 162.1 o 7 7 -15 0 955.3 1123.9 183.8 o 9 7 -15 0 2325.4 2177.5 206.6 o 11 7 -15 0 4400.6 3711.7 237.1 o 13 7 -15 0 3984.4 5152.6 306.9 o 2 8 -15 -1 1218.3 1215.6 169.6 o 2 8 -15 0 25541.0 25010.2 633.9 o 4 8 -15 0 1818.1 1952.4 182.8 o 6 8 -15 0 1995.0 2014.7 151.5 o 8 8 -15 0 3192.2 2476.7 210.2 o 10 8 -15 0 1357.2 1309.0 220.1 o 10 8 -15 1 2494.6 2312.8 229.3 o 12 8 -15 -1 1765.2 1770.3 228.4 o 12 8 -15 0 7374.9 6363.9 300.8 o 1 9 -15 1 823.3 678.9 179.8 o 3 9 -15 -1 1114.8 1186.8 180.1 o 3 9 -15 0 22404.6 22703.7 578.1 o 3 9 -15 1 552.8 528.7 176.4 o 5 9 -15 0 733.3 638.0 192.9 o 7 9 -15 -1 558.8 437.2 147.5 o 7 9 -15 0 4675.0 4151.4 185.7 o 9 9 -15 0 2253.9 2178.0 224.0 o 13 9 -15 -1 1207.5 1156.9 386.4 o 2 10 -15 0 1622.7 1575.3 201.2 o 4 10 -15 0 5296.1 5792.9 233.5 o 6 10 -15 0 2720.8 3195.4 169.8 o 8 10 -15 1 773.0 821.6 225.5 o 1 11 -15 0 1493.5 1433.8 205.4 o 5 11 -15 0 3505.1 3910.3 299.0 o 7 11 -15 -1 877.5 751.6 201.4 o 7 11 -15 0 2385.4 2368.8 212.7 o 7 11 -15 1 4682.0 4662.2 308.1 o 0 0 -14 1 821.5 845.4 167.9 o 2 0 -14 -1 560.3 672.8 168.3 o 2 0 -14 0 898.6 465.0 179.1 o 14 0 -14 0 4723.5 4238.0 284.1 o 16 0 -14 -1 917.8 1137.5 247.7 o 16 0 -14 0 2677.4 1724.9 254.4 o 16 0 -14 1 1288.7 969.4 247.2 o 18 0 -14 -1 1665.3 1705.5 257.1 o 18 0 -14 0 4973.1 4635.1 310.3 o 18 0 -14 1 1236.8 1762.8 261.9 o 20 0 -14 1 2355.5 2443.7 303.7 o 1 1 -14 -1 761.7 590.0 126.5 o 1 1 -14 0 8630.8 7119.6 260.5 o 1 1 -14 1 448.0 526.1 123.4 o 3 1 -14 -1 770.0 793.6 127.3 o 3 1 -14 0 1280.4 721.1 102.6 o 7 1 -14 0 2175.4 1687.7 196.9 o 9 1 -14 -1 571.6 801.2 178.0 o 9 1 -14 0 4432.9 3903.1 255.3 o 11 1 -14 0 1542.9 2198.4 214.4 o 15 1 -14 -1 1046.6 868.2 236.8 o 15 1 -14 0 3428.7 3454.0 262.5 o 17 1 -14 0 1106.1 1988.0 274.0 o 0 2 -14 1 2313.2 2190.1 133.6 o 2 2 -14 -1 1225.8 1105.0 127.3 o 2 2 -14 0 7665.8 6551.1 241.1 o 2 2 -14 1 663.4 694.3 126.8 o 4 2 -14 -1 809.4 614.6 101.6 o 4 2 -14 0 382.5 484.3 105.2 o 6 2 -14 0 609.1 448.2 187.2 o 8 2 -14 0 2211.2 1515.4 206.8 o 12 2 -14 1 2359.1 1833.2 240.4 o 14 2 -14 -1 1415.5 1038.0 229.3 o 14 2 -14 0 1792.5 1544.9 245.1 o 16 2 -14 0 853.3 551.9 252.7 o 3 3 -14 0 35586.7 37213.1 773.7 o 5 3 -14 -1 514.3 899.6 106.0 o 5 3 -14 0 1633.5 1463.8 112.8 o 5 3 -14 1 461.5 550.8 105.4 o 7 3 -14 0 1350.5 856.3 192.8 o 11 3 -14 0 2201.5 1698.4 229.1 o 11 3 -14 1 742.3 799.2 223.9 o 13 3 -14 -1 808.3 908.2 231.7 o 13 3 -14 0 1972.6 1902.3 246.1 o 13 3 -14 1 1170.0 1405.8 242.5 o 15 3 -14 -1 1072.1 1433.2 240.7 o 15 3 -14 0 1047.8 911.0 255.2 o 17 3 -14 -1 872.2 1602.4 272.2 o 17 3 -14 0 2689.1 2395.2 292.3 o 19 3 -14 0 1167.9 476.4 316.7 o 0 4 -14 1 453.5 699.3 103.8 o 2 4 -14 -1 499.8 391.3 108.1 o 2 4 -14 0 1085.3 874.5 110.4 o 2 4 -14 1 1171.8 1157.3 109.3 o 4 4 -14 -1 601.1 389.2 91.1 o 4 4 -14 0 574.9 405.5 110.5 o 6 4 -14 0 1894.5 1726.2 119.8 o 10 4 -14 -1 598.0 895.1 160.7 o 10 4 -14 0 1952.0 1708.6 220.3 o 14 4 -14 -1 848.9 593.2 232.4 o 16 4 -14 0 20504.7 19223.6 678.9 o 18 4 -14 0 3732.4 3935.9 313.8 o 1 5 -14 -1 3634.8 2910.5 140.8 o 1 5 -14 0 340.2 2.9 100.2 o 1 5 -14 1 1805.9 1799.3 117.0 o 3 5 -14 -1 1392.3 1523.6 112.2 o 3 5 -14 0 693.2 551.5 109.4 o 5 5 -14 0 5204.4 4127.2 173.5 o 5 5 -14 1 358.6 358.8 110.1 o 7 5 -14 0 1759.4 1981.0 158.0 o 9 5 -14 0 959.4 570.5 175.7 o 13 5 -14 0 1144.9 1821.2 257.0 o 13 5 -14 1 1580.5 1333.7 256.4 o 15 5 -14 0 15871.8 16124.0 574.8 o 17 5 -14 0 6975.9 6943.5 381.1 o 19 5 -14 -1 1262.0 1235.2 310.3 o 2 6 -14 0 948.8 1326.3 142.0 o 4 6 -14 -1 522.4 710.0 140.7 o 4 6 -14 0 4229.1 4727.1 156.4 o 6 6 -14 0 583.2 740.2 128.1 o 6 6 -14 1 414.1 530.3 129.0 o 10 6 -14 0 739.3 591.3 183.4 o 12 6 -14 0 9800.9 11110.6 415.5 o 14 6 -14 0 19195.5 18429.7 642.1 o 16 6 -14 0 5345.4 6137.2 333.5 o 18 6 -14 -1 1392.9 2416.0 312.8 o 1 7 -14 0 4940.9 4123.3 203.8 o 3 7 -14 0 1848.4 1393.6 159.1 o 5 7 -14 -1 878.5 656.2 124.5 o 5 7 -14 0 1321.5 1098.1 130.8 o 5 7 -14 1 1071.9 1101.7 129.2 o 7 7 -14 -1 639.5 902.9 132.5 o 7 7 -14 0 13104.7 12172.3 343.2 o 9 7 -14 0 1140.9 1491.5 193.3 o 15 7 -14 0 1569.2 2364.3 299.1 o 2 8 -14 0 2285.2 2130.0 164.4 o 2 8 -14 1 570.5 453.6 158.0 o 4 8 -14 0 1178.0 962.7 132.7 o 6 8 -14 0 2730.7 3250.7 149.8 o 8 8 -14 0 3753.5 3175.9 200.9 o 8 8 -14 1 769.4 612.8 191.6 o 10 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