#------------------------------------------------------------------------------ #$Date: 2019-10-07 09:55:39 +0300 (Mon, 07 Oct 2019) $ #$Revision: 219116 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/23/43/7234399.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_7234399 loop_ _publ_author_name 'Alessia Provino' 'Simon Steinberg' 'Volodymyr Smetana' 'Ruta Kulkarni' 'Sudesh K. Dhar' 'Pietro Manfrinetti' 'Anja-Verena Mudring' _publ_section_title ; Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties ; _journal_name_full 'Journal of Materials Chemistry C' _journal_page_first 8311 _journal_page_last 8321 _journal_paper_doi 10.1039/C5TC00884K _journal_volume 3 _journal_year 2015 _chemical_formula_sum 'Au7 Gd3 Sn3' _chemical_formula_weight 2206.59 _space_group_crystal_system hexagonal _space_group_IT_number 176 _space_group_name_Hall '-P 6c' _space_group_name_H-M_alt 'P 63/m' _atom_sites_solution_hydrogens . _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 8.185(3) _cell_length_b 8.185(3) _cell_length_c 9.415(3) _cell_measurement_temperature 296(2) _cell_volume 546.2(3) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.991 _diffrn_measured_fraction_theta_max 0.992 _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0785 _diffrn_reflns_av_unetI/netI 0.0399 _diffrn_reflns_Laue_measured_fraction_full 0.991 _diffrn_reflns_Laue_measured_fraction_max 0.992 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_number 2917 _diffrn_reflns_point_group_measured_fraction_full 0.991 _diffrn_reflns_point_group_measured_fraction_max 0.992 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.058 _diffrn_reflns_theta_min 4.982 _exptl_absorpt_coefficient_mu 118.165 _exptl_absorpt_correction_T_max 0.31 _exptl_absorpt_correction_T_min 0.22 _exptl_absorpt_correction_type empirical _exptl_crystal_density_diffrn 13.416 _exptl_crystal_description 'irregular fragment' _exptl_crystal_F_000 1790 _exptl_crystal_size_max 0.1 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.06 _refine_diff_density_max 3.000 _refine_diff_density_min -2.813 _refine_diff_density_rms 0.559 _refine_ls_extinction_coef 0.00028(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.096 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 25 _refine_ls_number_reflns 385 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.096 _refine_ls_R_factor_all 0.0394 _refine_ls_R_factor_gt 0.0295 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0166P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0593 _refine_ls_wR_factor_ref 0.0622 _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 329 _reflns_number_total 385 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file J-Mater-Chem-C-2015-3-8311.cif _cod_data_source_block Gd3Au7Sn3 _cod_original_cell_volume 546.2(4) _cod_database_code 7234399 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' 'x, y, -z-1/2' '-y, x-y, -z-1/2' '-x+y, -x, -z-1/2' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Au1 Au 0.6667 0.3333 0.2500 0.0078(4) Uani 1 6 d S T P . . Au2 Au 0.35205(11) 0.01780(11) 0.09569(7) 0.0085(3) Uani 1 1 d . . . . . Gd3 Gd 0.29928(19) 0.32040(19) 0.2500 0.0060(3) Uani 1 2 d S T P . . Sn4 Sn 0.3333 0.6667 0.0424(2) 0.0057(5) Uani 1 3 d S T P . . Sn5 Sn 0.0000 0.0000 0.0000 0.0058(7) Uani 1 6 d S T P . . 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 Au1 0.0095(6) 0.0095(6) 0.0045(8) 0.000 0.000 0.0048(3) Au2 0.0099(4) 0.0079(4) 0.0057(4) -0.0001(3) 0.0013(3) 0.0029(3) Gd3 0.0090(8) 0.0085(7) 0.0026(5) 0.000 0.000 0.0061(6) Sn4 0.0061(7) 0.0061(7) 0.0048(10) 0.000 0.000 0.0031(4) Sn5 0.0059(10) 0.0059(10) 0.0055(14) 0.000 0.000 0.0029(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Au Au -2.0133 8.8022 '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 Sn4 Au1 Sn4 180.0 4_665 7_665 Sn4 Au1 Gd3 90.0 4_665 2_655 Sn4 Au1 Gd3 90.0 7_665 2_655 Sn4 Au1 Gd3 90.0 4_665 3_665 Sn4 Au1 Gd3 90.0 7_665 3_665 Gd3 Au1 Gd3 120.0 2_655 3_665 Sn4 Au1 Gd3 90.0 4_665 . Sn4 Au1 Gd3 90.0 7_665 . Gd3 Au1 Gd3 120.0 2_655 . Gd3 Au1 Gd3 120.0 3_665 . Sn4 Au1 Au2 60.603(16) 4_665 11_656 Sn4 Au1 Au2 119.399(17) 7_665 11_656 Gd3 Au1 Au2 62.81(3) 2_655 11_656 Gd3 Au1 Au2 65.55(3) 3_665 11_656 Gd3 Au1 Au2 150.561(17) . 11_656 Sn4 Au1 Au2 119.399(17) 4_665 2_655 Sn4 Au1 Au2 60.603(16) 7_665 2_655 Gd3 Au1 Au2 62.81(3) 2_655 2_655 Gd3 Au1 Au2 65.55(3) 3_665 2_655 Gd3 Au1 Au2 150.561(17) . 2_655 Au2 Au1 Au2 58.80(3) 11_656 2_655 Sn4 Au1 Au2 60.602(17) 4_665 10_556 Sn4 Au1 Au2 119.398(17) 7_665 10_556 Gd3 Au1 Au2 65.55(3) 2_655 10_556 Gd3 Au1 Au2 150.561(17) 3_665 10_556 Gd3 Au1 Au2 62.81(3) . 10_556 Au2 Au1 Au2 97.96(2) 11_656 10_556 Au2 Au1 Au2 128.351(9) 2_655 10_556 Sn4 Au1 Au2 60.601(16) 4_665 12_666 Sn4 Au1 Au2 119.397(16) 7_665 12_666 Gd3 Au1 Au2 150.561(17) 2_655 12_666 Gd3 Au1 Au2 62.81(3) 3_665 12_666 Gd3 Au1 Au2 65.55(3) . 12_666 Au2 Au1 Au2 97.96(2) 11_656 12_666 Au2 Au1 Au2 128.351(9) 2_655 12_666 Au2 Au1 Au2 97.96(2) 10_556 12_666 Sn4 Au1 Au2 119.397(16) 4_665 3_665 Sn4 Au1 Au2 60.601(16) 7_665 3_665 Gd3 Au1 Au2 150.561(17) 2_655 3_665 Gd3 Au1 Au2 62.81(3) 3_665 3_665 Gd3 Au1 Au2 65.55(3) . 3_665 Au2 Au1 Au2 128.351(9) 11_656 3_665 Au2 Au1 Au2 97.96(2) 2_655 3_665 Au2 Au1 Au2 128.351(9) 10_556 3_665 Au2 Au1 Au2 58.80(3) 12_666 3_665 Sn4 Au1 Au2 119.398(17) 4_665 . Sn4 Au1 Au2 60.602(16) 7_665 . Gd3 Au1 Au2 65.55(3) 2_655 . Gd3 Au1 Au2 150.561(17) 3_665 . Gd3 Au1 Au2 62.81(3) . . Au2 Au1 Au2 128.351(9) 11_656 . Au2 Au1 Au2 97.96(2) 2_655 . Au2 Au1 Au2 58.80(3) 10_556 . Au2 Au1 Au2 128.351(9) 12_666 . Au2 Au1 Au2 97.96(2) 3_665 . Sn4 Au2 Sn4 113.42(3) 1_545 7_665 Sn4 Au2 Au2 100.16(4) 1_545 10_556 Sn4 Au2 Au2 116.75(4) 7_665 10_556 Sn4 Au2 Sn5 109.76(3) 1_545 . Sn4 Au2 Sn5 108.58(3) 7_665 . Au2 Au2 Sn5 107.768(15) 10_556 . Sn4 Au2 Au1 123.50(3) 1_545 . Sn4 Au2 Au1 56.15(4) 7_665 . Au2 Au2 Au1 60.601(16) 10_556 . Sn5 Au2 Au1 126.49(3) . . Sn4 Au2 Gd3 69.22(3) 1_545 3 Sn4 Au2 Gd3 177.20(4) 7_665 3 Au2 Au2 Gd3 61.30(2) 10_556 3 Sn5 Au2 Gd3 70.80(3) . 3 Au1 Au2 Gd3 121.86(3) . 3 Sn4 Au2 Gd3 159.45(4) 1_545 . Sn4 Au2 Gd3 85.08(4) 7_665 . Au2 Au2 Gd3 61.88(2) 10_556 . Sn5 Au2 Gd3 70.01(3) . . Au1 Au2 Gd3 58.52(3) . . Gd3 Au2 Gd3 92.17(5) 3 . Sn4 Au2 Au2 57.36(3) 1_545 7_655 Sn4 Au2 Au2 56.06(3) 7_665 7_655 Au2 Au2 Au2 124.93(3) 10_556 7_655 Sn5 Au2 Au2 126.73(4) . 7_655 Au1 Au2 Au2 89.30(4) . 7_655 Gd3 Au2 Au2 126.58(4) 3 7_655 Gd3 Au2 Au2 140.16(5) . 7_655 Sn4 Au2 Gd3 66.70(3) 1_545 2_655 Sn4 Au2 Gd3 82.92(4) 7_665 2_655 Au2 Au2 Gd3 63.02(2) 10_556 2_655 Sn5 Au2 Gd3 168.12(3) . 2_655 Au1 Au2 Gd3 57.16(3) . 2_655 Gd3 Au2 Gd3 97.57(5) 3 2_655 Gd3 Au2 Gd3 109.07(5) . 2_655 Au2 Au2 Gd3 61.92(4) 7_655 2_655 Sn4 Au2 Gd3 82.43(5) 1_545 8 Sn4 Au2 Gd3 65.35(5) 7_665 8 Au2 Au2 Gd3 175.19(3) 10_556 8 Sn5 Au2 Gd3 67.47(3) . 8 Au1 Au2 Gd3 121.33(3) . 8 Gd3 Au2 Gd3 116.42(4) 3 8 Gd3 Au2 Gd3 114.80(4) . 8 Au2 Au2 Gd3 59.87(3) 7_655 8 Gd3 Au2 Gd3 121.79(3) 2_655 8 Sn4 Au2 Au2 54.97(3) 1_545 8 Sn4 Au2 Au2 120.55(5) 7_665 8 Au2 Au2 Au2 122.66(2) 10_556 8 Sn5 Au2 Au2 55.560(7) . 8 Au1 Au2 Au2 176.13(3) . 8 Gd3 Au2 Au2 61.52(3) 3 8 Gd3 Au2 Au2 124.35(3) . 8 Au2 Au2 Au2 86.99(4) 7_655 8 Gd3 Au2 Au2 121.63(3) 2_655 8 Gd3 Au2 Au2 55.62(3) 8 8 Sn4 Au2 Au2 136.89(5) 1_545 9 Sn4 Au2 Au2 53.78(3) 7_665 9 Au2 Au2 Au2 122.66(2) 10_556 9 Sn5 Au2 Au2 55.560(7) . 9 Au1 Au2 Au2 85.72(3) . 9 Gd3 Au2 Au2 125.09(3) 3 9 Gd3 Au2 Au2 60.99(3) . 9 Au2 Au2 Au2 96.76(4) 7_655 9 Gd3 Au2 Au2 135.07(3) 2_655 9 Gd3 Au2 Au2 54.50(3) 8 9 Au2 Au2 Au2 93.63(3) 8 9 Au1 Gd3 Au2 151.06(2) . 2 Au1 Gd3 Au2 151.06(2) . 11_556 Au2 Gd3 Au2 57.40(4) 2 11_556 Au1 Gd3 Au2 58.67(3) . 10_556 Au2 Gd3 Au2 136.38(5) 2 10_556 Au2 Gd3 Au2 105.74(4) 11_556 10_556 Au1 Gd3 Au2 58.67(3) . . Au2 Gd3 Au2 105.74(4) 2 . Au2 Gd3 Au2 136.38(5) 11_556 . Au2 Gd3 Au2 56.25(4) 10_556 . Au1 Gd3 Au2 57.29(3) . 12_666 Au2 Gd3 Au2 130.43(5) 2 12_666 Au2 Gd3 Au2 102.28(4) 11_556 12_666 Au2 Gd3 Au2 90.57(4) 10_556 12_666 Au2 Gd3 Au2 115.95(5) . 12_666 Au1 Gd3 Au2 57.29(3) . 3_665 Au2 Gd3 Au2 102.28(4) 2 3_665 Au2 Gd3 Au2 130.43(5) 11_556 3_665 Au2 Gd3 Au2 115.95(5) 10_556 3_665 Au2 Gd3 Au2 90.57(4) . 3_665 Au2 Gd3 Au2 53.97(4) 12_666 3_665 Au1 Gd3 Au2 87.13(3) . 6 Au2 Gd3 Au2 121.22(4) 2 6 Au2 Gd3 Au2 63.98(2) 11_556 6 Au2 Gd3 Au2 63.39(2) 10_556 6 Au2 Gd3 Au2 119.44(4) . 6 Au2 Gd3 Au2 58.21(3) 12_666 6 Au2 Gd3 Au2 112.18(4) 3_665 6 Au1 Gd3 Au2 87.13(3) . 9 Au2 Gd3 Au2 63.98(2) 2 9 Au2 Gd3 Au2 121.22(4) 11_556 9 Au2 Gd3 Au2 119.44(4) 10_556 9 Au2 Gd3 Au2 63.39(2) . 9 Au2 Gd3 Au2 112.18(4) 12_666 9 Au2 Gd3 Au2 58.21(3) 3_665 9 Au2 Gd3 Au2 170.39(5) 6 9 Au1 Gd3 Sn4 108.54(3) . 10_556 Au2 Gd3 Sn4 87.62(4) 2 10_556 Au2 Gd3 Sn4 52.84(2) 11_556 10_556 Au2 Gd3 Sn4 114.86(4) 10_556 10_556 Au2 Gd3 Sn4 166.54(5) . 10_556 Au2 Gd3 Sn4 51.52(2) 12_666 10_556 Au2 Gd3 Sn4 84.79(4) 3_665 10_556 Au2 Gd3 Sn4 51.85(3) 6 10_556 Au2 Gd3 Sn4 123.33(5) 9 10_556 Au1 Gd3 Sn4 108.55(3) . . Au2 Gd3 Sn4 52.84(2) 2 . Au2 Gd3 Sn4 87.62(4) 11_556 . Au2 Gd3 Sn4 166.54(5) 10_556 . Au2 Gd3 Sn4 114.86(4) . . Au2 Gd3 Sn4 84.79(4) 12_666 . Au2 Gd3 Sn4 51.52(2) 3_665 . Au2 Gd3 Sn4 123.33(5) 6 . Au2 Gd3 Sn4 51.85(3) 9 . Sn4 Gd3 Sn4 71.70(7) 10_556 . Au1 Gd3 Sn5 110.42(3) . . Au2 Gd3 Sn5 53.61(2) 2 . Au2 Gd3 Sn5 93.42(4) 11_556 . Au2 Gd3 Sn5 92.42(4) 10_556 . Au2 Gd3 Sn5 53.23(2) . . Au2 Gd3 Sn5 162.58(3) 12_666 . Au2 Gd3 Sn5 109.72(3) 3_665 . Au2 Gd3 Sn5 137.57(4) 6 . Au2 Gd3 Sn5 51.94(2) 9 . Sn4 Gd3 Sn5 140.19(5) 10_556 . Sn4 Gd3 Sn5 88.40(3) . . Au1 Sn4 Au2 100.16(4) 7_665 1_565 Au1 Sn4 Au2 100.16(4) 7_665 2 Au2 Sn4 Au2 116.96(2) 1_565 2 Au1 Sn4 Au2 100.16(4) 7_665 3_665 Au2 Sn4 Au2 116.96(2) 1_565 3_665 Au2 Sn4 Au2 116.96(2) 2 3_665 Au1 Sn4 Au2 63.25(4) 7_665 8_565 Au2 Sn4 Au2 71.25(3) 1_565 8_565 Au2 Sn4 Au2 66.58(3) 2 8_565 Au2 Sn4 Au2 163.19(7) 3_665 8_565 Au1 Sn4 Au2 63.25(4) 7_665 7_665 Au2 Sn4 Au2 66.58(3) 1_565 7_665 Au2 Sn4 Au2 163.19(7) 2 7_665 Au2 Sn4 Au2 71.24(3) 3_665 7_665 Au2 Sn4 Au2 101.31(5) 8_565 7_665 Au1 Sn4 Au2 63.25(4) 7_665 9 Au2 Sn4 Au2 163.19(7) 1_565 9 Au2 Sn4 Au2 71.24(3) 2 9 Au2 Sn4 Au2 66.58(3) 3_665 9 Au2 Sn4 Au2 101.31(5) 8_565 9 Au2 Sn4 Au2 101.31(5) 7_665 9 Au1 Sn4 Gd3 125.85(3) 7_665 2_665 Au2 Sn4 Gd3 61.78(3) 1_565 2_665 Au2 Sn4 Gd3 133.93(7) 2 2_665 Au2 Sn4 Gd3 57.94(3) 3_665 2_665 Au2 Sn4 Gd3 132.96(3) 8_565 2_665 Au2 Sn4 Gd3 62.80(3) 7_665 2_665 Au2 Sn4 Gd3 124.51(3) 9 2_665 Au1 Sn4 Gd3 125.85(3) 7_665 3_565 Au2 Sn4 Gd3 57.94(3) 1_565 3_565 Au2 Sn4 Gd3 61.78(3) 2 3_565 Au2 Sn4 Gd3 133.93(7) 3_665 3_565 Au2 Sn4 Gd3 62.80(3) 8_565 3_565 Au2 Sn4 Gd3 124.51(3) 7_665 3_565 Au2 Sn4 Gd3 132.96(3) 9 3_565 Gd3 Sn4 Gd3 89.17(5) 2_665 3_565 Au1 Sn4 Gd3 125.85(3) 7_665 . Au2 Sn4 Gd3 133.93(7) 1_565 . Au2 Sn4 Gd3 57.94(3) 2 . Au2 Sn4 Gd3 61.78(3) 3_665 . Au2 Sn4 Gd3 124.51(3) 8_565 . Au2 Sn4 Gd3 132.96(3) 7_665 . Au2 Sn4 Gd3 62.80(3) 9 . Gd3 Sn4 Gd3 89.17(5) 2_665 . Gd3 Sn4 Gd3 89.17(5) 3_565 . Au2 Sn5 Au2 68.881(14) . 9 Au2 Sn5 Au2 111.119(14) . 3 Au2 Sn5 Au2 180.00(3) 9 3 Au2 Sn5 Au2 180.0 . 7 Au2 Sn5 Au2 111.119(14) 9 7 Au2 Sn5 Au2 68.881(14) 3 7 Au2 Sn5 Au2 111.120(14) . 2 Au2 Sn5 Au2 68.881(14) 9 2 Au2 Sn5 Au2 111.119(14) 3 2 Au2 Sn5 Au2 68.881(14) 7 2 Au2 Sn5 Au2 68.880(14) . 8 Au2 Sn5 Au2 111.119(14) 9 8 Au2 Sn5 Au2 68.881(14) 3 8 Au2 Sn5 Au2 111.119(14) 7 8 Au2 Sn5 Au2 180.00(3) 2 8 Au2 Sn5 Gd3 56.76(3) . . Au2 Sn5 Gd3 60.59(3) 9 . Au2 Sn5 Gd3 119.41(3) 3 . Au2 Sn5 Gd3 123.24(3) 7 . Au2 Sn5 Gd3 55.59(3) 2 . Au2 Sn5 Gd3 124.41(3) 8 . Au2 Sn5 Gd3 123.24(3) . 7 Au2 Sn5 Gd3 119.41(3) 9 7 Au2 Sn5 Gd3 60.59(3) 3 7 Au2 Sn5 Gd3 56.76(3) 7 7 Au2 Sn5 Gd3 124.41(3) 2 7 Au2 Sn5 Gd3 55.59(3) 8 7 Gd3 Sn5 Gd3 180.0 . 7 Au2 Sn5 Gd3 124.41(3) . 9 Au2 Sn5 Gd3 56.76(3) 9 9 Au2 Sn5 Gd3 123.24(3) 3 9 Au2 Sn5 Gd3 55.59(3) 7 9 Au2 Sn5 Gd3 60.59(3) 2 9 Au2 Sn5 Gd3 119.41(3) 8 9 Gd3 Sn5 Gd3 101.12(3) . 9 Gd3 Sn5 Gd3 78.88(3) 7 9 Au2 Sn5 Gd3 119.41(3) . 2 Au2 Sn5 Gd3 124.41(3) 9 2 Au2 Sn5 Gd3 55.59(3) 3 2 Au2 Sn5 Gd3 60.59(3) 7 2 Au2 Sn5 Gd3 56.76(3) 2 2 Au2 Sn5 Gd3 123.24(3) 8 2 Gd3 Sn5 Gd3 78.88(3) . 2 Gd3 Sn5 Gd3 101.12(3) 7 2 Gd3 Sn5 Gd3 101.12(3) 9 2 Au2 Sn5 Gd3 60.59(3) . 8 Au2 Sn5 Gd3 55.59(3) 9 8 Au2 Sn5 Gd3 124.41(3) 3 8 Au2 Sn5 Gd3 119.41(3) 7 8 Au2 Sn5 Gd3 123.24(3) 2 8 Au2 Sn5 Gd3 56.76(3) 8 8 Gd3 Sn5 Gd3 101.12(3) . 8 Gd3 Sn5 Gd3 78.88(3) 7 8 Gd3 Sn5 Gd3 78.88(3) 9 8 Gd3 Sn5 Gd3 180.0 2 8 Au2 Sn5 Gd3 55.59(3) . 3 Au2 Sn5 Gd3 123.24(3) 9 3 Au2 Sn5 Gd3 56.76(3) 3 3 Au2 Sn5 Gd3 124.41(3) 7 3 Au2 Sn5 Gd3 119.41(3) 2 3 Au2 Sn5 Gd3 60.59(3) 8 3 Gd3 Sn5 Gd3 78.88(3) . 3 Gd3 Sn5 Gd3 101.12(3) 7 3 Gd3 Sn5 Gd3 180.00(4) 9 3 Gd3 Sn5 Gd3 78.88(3) 2 3 Gd3 Sn5 Gd3 101.12(3) 8 3 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Au1 Sn4 2.753(2) 4_665 Au1 Sn4 2.753(2) 7_665 Au1 Gd3 2.9554(16) 2_655 Au1 Gd3 2.9555(16) 3_665 Au1 Gd3 2.9554(16) . Au1 Au2 2.9599(10) 11_656 Au1 Au2 2.9599(10) 2_655 Au1 Au2 2.9599(10) 10_556 Au1 Au2 2.9599(10) 12_666 Au1 Au2 2.9599(10) 3_665 Au1 Au2 2.9599(10) . Au2 Sn4 2.8451(12) 1_545 Au2 Sn4 2.8879(14) 7_665 Au2 Au2 2.9059(16) 10_556 Au2 Sn5 2.9523(12) . Au2 Gd3 3.0254(16) 3 Au2 Gd3 3.0824(17) . Au2 Au2 3.1468(17) 7_655 Au2 Gd3 3.2021(17) 2_655 Au2 Gd3 3.2663(12) 8 Au2 Au2 3.3393(13) 8 Au2 Au2 3.3393(13) 9 Gd3 Au2 3.0255(16) 2 Gd3 Au2 3.0255(16) 11_556 Gd3 Au2 3.0824(17) 10_556 Gd3 Au2 3.2021(17) 12_666 Gd3 Au2 3.2021(17) 3_665 Gd3 Au2 3.2663(12) 6 Gd3 Au2 3.2663(12) 9 Gd3 Sn4 3.3378(17) 10_556 Gd3 Sn4 3.3379(17) . Gd3 Sn5 3.4632(12) . Sn4 Au1 2.753(2) 7_665 Sn4 Au2 2.8451(12) 1_565 Sn4 Au2 2.8451(12) 2 Sn4 Au2 2.8451(12) 3_665 Sn4 Au2 2.8879(14) 8_565 Sn4 Au2 2.8879(14) 7_665 Sn4 Au2 2.8879(14) 9 Sn4 Gd3 3.3379(17) 2_665 Sn4 Gd3 3.3379(17) 3_565 Sn5 Au2 2.9523(12) 9 Sn5 Au2 2.9523(12) 3 Sn5 Au2 2.9523(12) 7 Sn5 Au2 2.9523(12) 2 Sn5 Au2 2.9523(12) 8 Sn5 Gd3 3.4632(12) 7 Sn5 Gd3 3.4632(12) 9 Sn5 Gd3 3.4632(12) 2 Sn5 Gd3 3.4632(12) 8 Sn5 Gd3 3.4632(12) 3