#------------------------------------------------------------------------------ #$Date: 2016-03-21 01:21:50 +0200 (Mon, 21 Mar 2016) $ #$Revision: 178377 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/19/4001918.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4001918 loop_ _publ_author_name 'Lin, Jian' 'Chai, Ping' 'Diefenbach, Kariem' 'Shatruk, Michael' 'Albrecht-Schmitt, Thomas E.' _publ_section_title ; Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2 ; _journal_issue 6 _journal_name_full 'Chemistry of Materials' _journal_page_first 2187 _journal_paper_doi 10.1021/cm500252q _journal_volume 26 _journal_year 2014 _chemical_formula_moiety Yb2Cu(TeO3)2(SO4)2 _chemical_formula_sum 'Cu O14 S2 Te2 Yb2' _chemical_formula_weight 952.94 _chemical_melting_point N//A _chemical_name_common 'Ytterbium copper tellurite sulfate' _chemical_name_systematic ; ? ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens none _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 114.570(2) _cell_angle_beta 106.545(2) _cell_angle_gamma 96.272(3) _cell_formula_units_Z 1 _cell_length_a 5.3283(15) _cell_length_b 8.041(2) _cell_length_c 8.113(2) _cell_measurement_reflns_used 1340 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 27.490 _cell_measurement_theta_min 2.89 _cell_volume 292.52(13) _computing_cell_refinement 'smart saint' _computing_data_collection smart _computing_data_reduction SAINT _computing_molecular_graphics 'SHELXP-97 (Sheldrick, 1997)' _computing_publication_material 'SHELXCIF-97 (Sheldrick, 2000)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 100(2) _diffrn_detector_area_resol_mean 0 _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.991 _diffrn_measurement_device_type 'BRUKER apex II' _diffrn_measurement_method '0.5 wide w/ exposures' _diffrn_radiation_monochromator 'Quazar optics' _diffrn_radiation_source 'Imus microfocused' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0230 _diffrn_reflns_av_sigmaI/netI 0.0257 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_h_min -6 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 3496 _diffrn_reflns_theta_full 27.49 _diffrn_reflns_theta_max 27.49 _diffrn_reflns_theta_min 2.89 _exptl_absorpt_coefficient_mu 22.979 _exptl_absorpt_correction_T_max 0.795 _exptl_absorpt_correction_T_min 0.396 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details SHELTXPREP _exptl_crystal_colour 'light green' _exptl_crystal_density_diffrn 5.409 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 417 _exptl_crystal_size_max 0.050 _exptl_crystal_size_mid 0.035 _exptl_crystal_size_min 0.010 _refine_diff_density_max 1.285 _refine_diff_density_min -1.782 _refine_diff_density_rms 0.272 _refine_ls_extinction_coef 0 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.137 _refine_ls_hydrogen_treatment none _refine_ls_matrix_type full _refine_ls_number_parameters 97 _refine_ls_number_reflns 1328 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.137 _refine_ls_R_factor_all 0.0190 _refine_ls_R_factor_gt 0.0188 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0228P)^2^+0.5287P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0468 _refine_ls_wR_factor_ref 0.0469 _reflns_number_gt 1306 _reflns_number_total 1328 _reflns_threshold_expression >2sigma(I) _cod_data_source_file cm500252q_si_002.cif _cod_data_source_block Yb2Cu(TeO3)2(SO4)2 _cod_original_sg_symbol_H-M P-1 _cod_database_code 4001918 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags Yb1 Yb -0.16859(4) -0.23458(3) 0.46931(3) 0.00471(8) Uani 1 1 d . Te1 Te -0.12503(6) 0.23712(4) 0.85647(4) 0.00480(9) Uani 1 1 d . Cu1 Cu 0.5000 0.5000 1.0000 0.00519(16) Uani 1 2 d S S1 S 0.4147(2) -0.26997(16) 0.73261(17) 0.0053(2) Uani 1 1 d . O7 O -0.3834(7) -0.1760(5) 0.6833(5) 0.0089(7) Uani 1 1 d . O5 O -0.2995(7) -0.5297(5) 0.4182(5) 0.0085(7) Uani 1 1 d . O6 O 0.1893(7) -0.1761(5) 0.7292(5) 0.0091(7) Uani 1 1 d . O4 O 0.5445(7) -0.2534(5) 0.9259(5) 0.0094(7) Uani 1 1 d . O1 O 0.1109(6) 0.4270(5) 0.8492(5) 0.0064(6) Uani 1 1 d . O2 O -0.4444(6) 0.3054(5) 0.7708(5) 0.0059(6) Uani 1 1 d . O3 O -0.1288(7) 0.0773(5) 0.6087(5) 0.0065(6) Uani 1 1 d . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Yb1 0.00470(12) 0.00395(12) 0.00515(12) 0.00213(9) 0.00162(8) 0.00047(8) Te1 0.00485(15) 0.00507(16) 0.00530(16) 0.00290(13) 0.00227(12) 0.00126(12) Cu1 0.0043(3) 0.0052(4) 0.0048(4) 0.0012(3) 0.0016(3) 0.0013(3) S1 0.0037(5) 0.0049(5) 0.0069(6) 0.0030(5) 0.0017(4) -0.0002(4) O7 0.0118(17) 0.0046(17) 0.0103(18) 0.0030(14) 0.0055(14) -0.0008(13) O5 0.0118(16) 0.0029(16) 0.0080(17) 0.0001(14) 0.0042(14) 0.0000(13) O6 0.0093(16) 0.0093(17) 0.0084(17) 0.0037(14) 0.0026(13) 0.0040(14) O4 0.0079(15) 0.0099(18) 0.0102(18) 0.0058(15) 0.0016(13) 0.0025(14) O1 0.0062(15) 0.0058(16) 0.0083(17) 0.0039(14) 0.0032(13) 0.0012(13) O2 0.0047(15) 0.0075(16) 0.0060(16) 0.0028(14) 0.0025(12) 0.0036(12) O3 0.0111(16) 0.0047(16) 0.0048(16) 0.0019(13) 0.0048(13) 0.0026(13) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 O2 Yb1 O5 85.70(12) 2_456 . O2 Yb1 O6 172.55(12) 2_456 . O5 Yb1 O6 89.83(12) . . O2 Yb1 O3 94.75(12) 2_456 . O5 Yb1 O3 155.46(12) . . O6 Yb1 O3 86.86(12) . . O2 Yb1 O7 90.89(12) 2_456 . O5 Yb1 O7 81.96(12) . . O6 Yb1 O7 82.59(13) . . O3 Yb1 O7 73.50(12) . . O2 Yb1 O3 101.19(12) 2_456 2_556 O5 Yb1 O3 135.94(12) . 2_556 O6 Yb1 O3 86.16(12) . 2_556 O3 Yb1 O3 68.10(14) . 2_556 O7 Yb1 O3 140.44(12) . 2_556 O2 Yb1 O1 71.91(11) 2_456 2_556 O5 Yb1 O1 77.71(11) . 2_556 O6 Yb1 O1 112.94(12) . 2_556 O3 Yb1 O1 125.77(11) . 2_556 O7 Yb1 O1 154.14(11) . 2_556 O3 Yb1 O1 63.90(11) 2_556 2_556 O2 Yb1 Cu1 36.52(9) 2_456 1_444 O5 Yb1 Cu1 72.74(9) . 1_444 O6 Yb1 Cu1 146.62(9) . 1_444 O3 Yb1 Cu1 120.53(8) . 1_444 O7 Yb1 Cu1 121.28(9) . 1_444 O3 Yb1 Cu1 87.23(8) 2_556 1_444 O1 Yb1 Cu1 36.58(7) 2_556 1_444 O2 Yb1 S1 161.25(9) 2_456 . O5 Yb1 S1 80.29(9) . . O6 Yb1 S1 20.69(9) . . O3 Yb1 S1 103.17(9) . . O7 Yb1 S1 99.36(9) . . O3 Yb1 S1 80.83(9) 2_556 . O1 Yb1 S1 92.84(8) 2_556 . Cu1 Yb1 S1 125.98(2) 1_444 . O2 Yb1 Te1 84.71(9) 2_456 2_556 O5 Yb1 Te1 109.10(9) . 2_556 O6 Yb1 Te1 102.40(9) . 2_556 O3 Yb1 Te1 95.35(8) . 2_556 O7 Yb1 Te1 167.67(9) . 2_556 O3 Yb1 Te1 30.98(8) 2_556 2_556 O1 Yb1 Te1 33.05(7) 2_556 2_556 Cu1 Yb1 Te1 59.573(19) 1_444 2_556 S1 Yb1 Te1 88.15(3) . 2_556 O2 Yb1 Te1 104.79(9) 2_456 . O5 Yb1 Te1 133.75(9) . . O6 Yb1 Te1 74.17(9) . . O3 Yb1 Te1 23.12(8) . . O7 Yb1 Te1 53.53(8) . . O3 Yb1 Te1 86.92(8) 2_556 . O1 Yb1 Te1 148.52(7) 2_556 . Cu1 Yb1 Te1 138.018(10) 1_444 . S1 Yb1 Te1 93.91(2) . . Te1 Yb1 Te1 116.568(15) 2_556 . O2 Yb1 Yb1 99.68(9) 2_456 2_556 O5 Yb1 Yb1 168.76(9) . 2_556 O6 Yb1 Yb1 85.78(9) . 2_556 O3 Yb1 Yb1 34.62(8) . 2_556 O7 Yb1 Yb1 107.66(8) . 2_556 O3 Yb1 Yb1 33.47(8) 2_556 2_556 O1 Yb1 Yb1 94.48(7) 2_556 2_556 Cu1 Yb1 Yb1 105.803(14) 1_444 2_556 S1 Yb1 Yb1 92.17(2) . 2_556 Te1 Yb1 Yb1 61.989(9) 2_556 2_556 Te1 Yb1 Yb1 54.579(16) . 2_556 O3 Te1 O2 96.57(14) . . O3 Te1 O1 85.57(15) . . O2 Te1 O1 96.04(14) . . O3 Te1 Yb1 39.23(10) . 2_556 O2 Te1 Yb1 101.71(10) . 2_556 O1 Te1 Yb1 46.53(10) . 2_556 O3 Te1 Yb1 27.93(10) . . O2 Te1 Yb1 107.90(10) . . O1 Te1 Yb1 109.16(10) . . Yb1 Te1 Yb1 63.432(15) 2_556 . O1 Cu1 O1 179.999(1) . 2_667 O1 Cu1 O2 89.98(14) . 2_567 O1 Cu1 O2 90.02(14) 2_667 2_567 O1 Cu1 O2 90.02(14) . 1_655 O1 Cu1 O2 89.98(14) 2_667 1_655 O2 Cu1 O2 180.000(1) 2_567 1_655 O1 Cu1 O4 88.29(12) . 1_565 O1 Cu1 O4 91.71(13) 2_667 1_565 O2 Cu1 O4 82.27(13) 2_567 1_565 O2 Cu1 O4 97.73(13) 1_655 1_565 O1 Cu1 O4 91.71(13) . 2_657 O1 Cu1 O4 88.29(12) 2_667 2_657 O2 Cu1 O4 97.73(13) 2_567 2_657 O2 Cu1 O4 82.27(13) 1_655 2_657 O4 Cu1 O4 180.00(6) 1_565 2_657 O1 Cu1 Yb1 50.35(10) . 2_556 O1 Cu1 Yb1 129.65(10) 2_667 2_556 O2 Cu1 Yb1 138.70(9) 2_567 2_556 O2 Cu1 Yb1 41.30(9) 1_655 2_556 O4 Cu1 Yb1 85.17(9) 1_565 2_556 O4 Cu1 Yb1 94.83(9) 2_657 2_556 O1 Cu1 Yb1 129.65(10) . 1_666 O1 Cu1 Yb1 50.35(10) 2_667 1_666 O2 Cu1 Yb1 41.30(9) 2_567 1_666 O2 Cu1 Yb1 138.70(9) 1_655 1_666 O4 Cu1 Yb1 94.83(9) 1_565 1_666 O4 Cu1 Yb1 85.17(9) 2_657 1_666 Yb1 Cu1 Yb1 180.0 2_556 1_666 O4 S1 O5 111.5(2) . 2_546 O4 S1 O7 109.6(2) . 1_655 O5 S1 O7 109.3(2) 2_546 1_655 O4 S1 O6 110.5(2) . . O5 S1 O6 107.6(2) 2_546 . O7 S1 O6 108.3(2) 1_655 . O4 S1 Yb1 138.90(15) . . O5 S1 Yb1 80.78(14) 2_546 . O7 S1 Yb1 101.96(15) 1_655 . O6 S1 Yb1 32.09(14) . . S1 O7 Yb1 142.3(2) 1_455 . S1 O5 Yb1 144.5(2) 2_546 . S1 O6 Yb1 127.2(2) . . S1 O4 Cu1 124.6(2) . 1_545 Te1 O1 Cu1 119.61(17) . . Te1 O1 Yb1 100.43(14) . 2_556 Cu1 O1 Yb1 93.07(12) . 2_556 Te1 O2 Cu1 109.46(16) . 1_455 Te1 O2 Yb1 147.18(18) . 2_456 Cu1 O2 Yb1 102.18(14) 1_455 2_456 Te1 O3 Yb1 128.95(16) . . Te1 O3 Yb1 109.79(15) . 2_556 Yb1 O3 Yb1 111.91(14) . 2_556 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Yb1 O2 2.215(3) 2_456 Yb1 O5 2.224(3) . Yb1 O6 2.235(3) . Yb1 O3 2.236(3) . Yb1 O7 2.262(3) . Yb1 O3 2.304(3) 2_556 Yb1 O1 2.529(3) 2_556 Yb1 Cu1 3.2802(7) 1_444 Yb1 S1 3.3498(14) . Yb1 Te1 3.4279(7) 2_556 Yb1 Te1 3.7137(8) . Yb1 Yb1 3.7622(9) 2_556 Te1 O3 1.875(3) . Te1 O2 1.878(3) . Te1 O1 1.901(3) . Te1 Yb1 3.4279(7) 2_556 Cu1 O1 1.958(3) . Cu1 O1 1.958(3) 2_667 Cu1 O2 1.997(3) 2_567 Cu1 O2 1.997(3) 1_655 Cu1 O4 2.306(3) 1_565 Cu1 O4 2.306(3) 2_657 Cu1 Yb1 3.2802(7) 2_556 Cu1 Yb1 3.2802(7) 1_666 S1 O4 1.464(4) . S1 O5 1.478(3) 2_546 S1 O7 1.486(3) 1_655 S1 O6 1.487(4) . O7 S1 1.486(3) 1_455 O5 S1 1.478(3) 2_546 O4 Cu1 2.306(3) 1_545 O1 Yb1 2.529(3) 2_556 O2 Cu1 1.997(3) 1_455 O2 Yb1 2.215(3) 2_456 O3 Yb1 2.304(3) 2_556 loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_4 O2 Yb1 Te1 O3 -66.4(2) 2_456 . O5 Yb1 Te1 O3 -164.8(2) . . O6 Yb1 Te1 O3 121.2(2) . . O7 Yb1 Te1 O3 -146.3(2) . . O3 Yb1 Te1 O3 34.4(3) 2_556 . O1 Yb1 Te1 O3 13.0(3) 2_556 . Cu1 Yb1 Te1 O3 -48.0(2) 1_444 . S1 Yb1 Te1 O3 114.9(2) . . Te1 Yb1 Te1 O3 25.1(2) 2_556 . Yb1 Yb1 Te1 O3 25.1(2) 2_556 . O2 Yb1 Te1 O2 2.96(19) 2_456 . O5 Yb1 Te1 O2 -95.40(16) . . O6 Yb1 Te1 O2 -169.39(14) . . O3 Yb1 Te1 O2 69.4(2) . . O7 Yb1 Te1 O2 -76.94(15) . . O3 Yb1 Te1 O2 103.73(13) 2_556 . O1 Yb1 Te1 O2 82.37(17) 2_556 . Cu1 Yb1 Te1 O2 21.33(11) 1_444 . S1 Yb1 Te1 O2 -175.70(11) . . Te1 Yb1 Te1 O2 94.42(11) 2_556 . Yb1 Yb1 Te1 O2 94.42(11) 2_556 . O2 Yb1 Te1 O1 -100.29(13) 2_456 . O5 Yb1 Te1 O1 161.34(16) . . O6 Yb1 Te1 O1 87.35(14) . . O3 Yb1 Te1 O1 -33.9(2) . . O7 Yb1 Te1 O1 179.80(15) . . O3 Yb1 Te1 O1 0.47(13) 2_556 . O1 Yb1 Te1 O1 -20.9(2) 2_556 . Cu1 Yb1 Te1 O1 -81.93(11) 1_444 . S1 Yb1 Te1 O1 81.05(11) . . Te1 Yb1 Te1 O1 -8.83(10) 2_556 . Yb1 Yb1 Te1 O1 -8.83(10) 2_556 . O2 Yb1 Te1 Yb1 -91.46(9) 2_456 2_556 O5 Yb1 Te1 Yb1 170.18(12) . 2_556 O6 Yb1 Te1 Yb1 96.18(9) . 2_556 O3 Yb1 Te1 Yb1 -25.1(2) . 2_556 O7 Yb1 Te1 Yb1 -171.36(11) . 2_556 O3 Yb1 Te1 Yb1 9.31(8) 2_556 2_556 O1 Yb1 Te1 Yb1 -12.05(14) 2_556 2_556 Cu1 Yb1 Te1 Yb1 -73.10(2) 1_444 2_556 S1 Yb1 Te1 Yb1 89.88(3) . 2_556 Te1 Yb1 Te1 Yb1 0.0 2_556 2_556 O2 Yb1 S1 O4 -124.3(3) 2_456 . O5 Yb1 S1 O4 -82.1(2) . . O6 Yb1 S1 O4 34.3(3) . . O3 Yb1 S1 O4 73.1(2) . . O7 Yb1 S1 O4 -2.0(2) . . O3 Yb1 S1 O4 137.9(2) 2_556 . O1 Yb1 S1 O4 -159.1(2) 2_556 . Cu1 Yb1 S1 O4 -142.3(2) 1_444 . Te1 Yb1 S1 O4 168.2(2) 2_556 . Te1 Yb1 S1 O4 51.7(2) . . Yb1 Yb1 S1 O4 106.3(2) 2_556 . O2 Yb1 S1 O5 -12.0(3) 2_456 2_546 O5 Yb1 S1 O5 30.2(2) . 2_546 O6 Yb1 S1 O5 146.6(3) . 2_546 O3 Yb1 S1 O5 -174.57(16) . 2_546 O7 Yb1 S1 O5 110.32(16) . 2_546 O3 Yb1 S1 O5 -109.78(16) 2_556 2_546 O1 Yb1 S1 O5 -46.79(16) 2_556 2_546 Cu1 Yb1 S1 O5 -30.02(14) 1_444 2_546 Te1 Yb1 S1 O5 -79.51(14) 2_556 2_546 Te1 Yb1 S1 O5 163.98(14) . 2_546 Yb1 Yb1 S1 O5 -141.38(14) 2_556 2_546 O2 Yb1 S1 O7 96.0(3) 2_456 1_655 O5 Yb1 S1 O7 138.17(17) . 1_655 O6 Yb1 S1 O7 -105.5(3) . 1_655 O3 Yb1 S1 O7 -66.63(17) . 1_655 O7 Yb1 S1 O7 -141.7(2) . 1_655 O3 Yb1 S1 O7 -1.83(16) 2_556 1_655 O1 Yb1 S1 O7 61.15(16) 2_556 1_655 Cu1 Yb1 S1 O7 77.92(15) 1_444 1_655 Te1 Yb1 S1 O7 28.43(14) 2_556 1_655 Te1 Yb1 S1 O7 -88.07(14) . 1_655 Yb1 Yb1 S1 O7 -33.44(14) 2_556 1_655 O2 Yb1 S1 O6 -158.6(3) 2_456 . O5 Yb1 S1 O6 -116.4(3) . . O3 Yb1 S1 O6 38.8(3) . . O7 Yb1 S1 O6 -36.3(3) . . O3 Yb1 S1 O6 103.6(3) 2_556 . O1 Yb1 S1 O6 166.6(3) 2_556 . Cu1 Yb1 S1 O6 -176.6(3) 1_444 . Te1 Yb1 S1 O6 133.9(3) 2_556 . Te1 Yb1 S1 O6 17.4(3) . . Yb1 Yb1 S1 O6 72.0(3) 2_556 . O2 Yb1 O7 S1 66.8(4) 2_456 1_455 O5 Yb1 O7 S1 -18.8(3) . 1_455 O6 Yb1 O7 S1 -109.6(4) . 1_455 O3 Yb1 O7 S1 161.5(4) . 1_455 O3 Yb1 O7 S1 175.6(3) 2_556 1_455 O1 Yb1 O7 S1 19.6(5) 2_556 1_455 Cu1 Yb1 O7 S1 45.3(4) 1_444 1_455 S1 Yb1 O7 S1 -97.5(3) . 1_455 Te1 Yb1 O7 S1 135.6(3) 2_556 1_455 Te1 Yb1 O7 S1 174.6(4) . 1_455 Yb1 Yb1 O7 S1 167.2(3) 2_556 1_455 O2 Yb1 O5 S1 46.2(4) 2_456 2_546 O6 Yb1 O5 S1 -139.7(4) . 2_546 O3 Yb1 O5 S1 138.3(3) . 2_546 O7 Yb1 O5 S1 137.7(4) . 2_546 O3 Yb1 O5 S1 -55.4(4) 2_556 2_546 O1 Yb1 O5 S1 -26.2(3) 2_556 2_546 Cu1 Yb1 O5 S1 11.4(3) 1_444 2_546 S1 Yb1 O5 S1 -121.3(4) . 2_546 Te1 Yb1 O5 S1 -36.7(4) 2_556 2_546 Te1 Yb1 O5 S1 152.6(3) . 2_546 Yb1 Yb1 O5 S1 -72.9(6) 2_556 2_546 O4 S1 O6 Yb1 -156.7(2) . . O5 S1 O6 Yb1 -34.8(3) 2_546 . O7 S1 O6 Yb1 83.3(3) 1_655 . O2 Yb1 O6 S1 115.0(9) 2_456 . O5 Yb1 O6 S1 62.0(3) . . O3 Yb1 O6 S1 -142.3(3) . . O7 Yb1 O6 S1 143.9(3) . . O3 Yb1 O6 S1 -74.1(3) 2_556 . O1 Yb1 O6 S1 -14.5(3) 2_556 . Cu1 Yb1 O6 S1 5.0(4) 1_444 . Te1 Yb1 O6 S1 -47.5(3) 2_556 . Te1 Yb1 O6 S1 -161.9(3) . . Yb1 Yb1 O6 S1 -107.6(2) 2_556 . O5 S1 O4 Cu1 -12.1(3) 2_546 1_545 O7 S1 O4 Cu1 -133.2(2) 1_655 1_545 O6 S1 O4 Cu1 107.5(2) . 1_545 Yb1 S1 O4 Cu1 88.9(3) . 1_545 O3 Te1 O1 Cu1 -103.9(2) . . O2 Te1 O1 Cu1 159.95(19) . . Yb1 Te1 O1 Cu1 -99.6(2) 2_556 . Yb1 Te1 O1 Cu1 -88.71(18) . . O3 Te1 O1 Yb1 -4.28(13) . 2_556 O2 Te1 O1 Yb1 -100.43(14) . 2_556 Yb1 Te1 O1 Yb1 10.91(13) . 2_556 O1 Cu1 O1 Te1 141(16) 2_667 . O2 Cu1 O1 Te1 -88.8(2) 2_567 . O2 Cu1 O1 Te1 91.2(2) 1_655 . O4 Cu1 O1 Te1 -171.04(19) 1_565 . O4 Cu1 O1 Te1 8.96(19) 2_657 . Yb1 Cu1 O1 Te1 103.8(2) 2_556 . Yb1 Cu1 O1 Te1 -76.2(2) 1_666 . O1 Cu1 O1 Yb1 38(16) 2_667 2_556 O2 Cu1 O1 Yb1 167.41(12) 2_567 2_556 O2 Cu1 O1 Yb1 -12.59(12) 1_655 2_556 O4 Cu1 O1 Yb1 85.14(12) 1_565 2_556 O4 Cu1 O1 Yb1 -94.86(12) 2_657 2_556 Yb1 Cu1 O1 Yb1 180.0 1_666 2_556 O3 Te1 O2 Cu1 -175.23(16) . 1_455 O1 Te1 O2 Cu1 -89.01(17) . 1_455 Yb1 Te1 O2 Cu1 -135.80(12) 2_556 1_455 Yb1 Te1 O2 Cu1 158.59(11) . 1_455 O3 Te1 O2 Yb1 20.9(3) . 2_456 O1 Te1 O2 Yb1 107.1(3) . 2_456 Yb1 Te1 O2 Yb1 60.3(3) 2_556 2_456 Yb1 Te1 O2 Yb1 -5.3(3) . 2_456 O2 Te1 O3 Yb1 -116.3(2) . . O1 Te1 O3 Yb1 148.1(2) . . Yb1 Te1 O3 Yb1 143.2(3) 2_556 . O2 Te1 O3 Yb1 100.49(16) . 2_556 O1 Te1 O3 Yb1 4.91(15) . 2_556 Yb1 Te1 O3 Yb1 -143.2(3) . 2_556 O2 Yb1 O3 Te1 117.2(2) 2_456 . O5 Yb1 O3 Te1 27.2(4) . . O6 Yb1 O3 Te1 -55.5(2) . . O7 Yb1 O3 Te1 27.7(2) . . O3 Yb1 O3 Te1 -142.6(3) 2_556 . O1 Yb1 O3 Te1 -171.67(17) 2_556 . Cu1 Yb1 O3 Te1 144.73(16) 1_444 . S1 Yb1 O3 Te1 -68.3(2) . . Te1 Yb1 O3 Te1 -157.63(19) 2_556 . Yb1 Yb1 O3 Te1 -142.6(3) 2_556 . O2 Yb1 O3 Yb1 -100.16(15) 2_456 2_556 O5 Yb1 O3 Yb1 169.8(2) . 2_556 O6 Yb1 O3 Yb1 87.12(15) . 2_556 O7 Yb1 O3 Yb1 170.32(17) . 2_556 O3 Yb1 O3 Yb1 0.0 2_556 2_556 O1 Yb1 O3 Yb1 -29.1(2) 2_556 2_556 Cu1 Yb1 O3 Yb1 -72.68(15) 1_444 2_556 S1 Yb1 O3 Yb1 74.30(13) . 2_556 Te1 Yb1 O3 Yb1 -15.05(13) 2_556 2_556 Te1 Yb1 O3 Yb1 142.6(3) . 2_556