#------------------------------------------------------------------------------ #$Date: 2026-09-04 22:11:24 +0100 (Fri, 04 Sep 2026) $ #$Revision: 306864 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/35/2023561.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2023561 loop_ _publ_author_name 'Alam, Md. Rashed' 'Lane, Robert' 'Khajkini, Mojib Pourashouri' 'Baranets, Sviatoslav' _publ_section_title ; Eu5Ga2As6 and Ba5In2As6--x Sb x : new As-containing members of the Sr5Al2Sb6 structure type ; _journal_coeditor_code YP3254 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C Structural Chemistry' _journal_paper_doi 10.1107/S2053229626008302 _journal_volume 82 _journal_year 2026 _chemical_formula_moiety 'Eu3 Ga As3' _chemical_formula_sum 'As3 Eu3 Ga' _chemical_formula_weight 750.36 _space_group_crystal_system orthorhombic _space_group_IT_number 64 _space_group_name_Hall '-C 2ac 2' _space_group_name_H-M_alt 'C m c e' _audit_creation_method ; Olex2 1.5 (compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928) ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 18.9798(6) _cell_length_b 6.4415(2) _cell_length_c 12.5646(4) _cell_measurement_reflns_used 3486 _cell_measurement_temperature 100.00 _cell_measurement_theta_max 23.634 _cell_measurement_theta_min 2.558 _cell_volume 1536.13(8) _computing_cell_refinement ; SAINT (Bruker, 2019) ; _computing_data_collection ; APEX5 (Bruker, 2019) ; _computing_data_reduction ; SAINT (Bruker, 2019) ; _computing_molecular_graphics ; DIAMOND (Putz & Brandenburg, 2006) ; _computing_publication_material ; publCIF (Westrip, 2010) and OLEX2 (Dolomanov et al., 2009) ; _computing_structure_refinement ; SHELXL2018 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 100.00 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker D8 VENTURE DUO with a PHOTON III C14 detector' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type AgK\a _diffrn_radiation_wavelength 0.56086 _diffrn_reflns_av_R_equivalents 0.0474 _diffrn_reflns_av_unetI/netI 0.0234 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 9745 _diffrn_reflns_theta_full 19.665 _diffrn_reflns_theta_max 23.633 _diffrn_reflns_theta_min 2.558 _diffrn_source_current 0.9 _diffrn_source_power 0.045 _diffrn_source_voltage 50.0 _exptl_absorpt_coefficient_mu 21.254 _exptl_absorpt_correction_T_max 0.2569 _exptl_absorpt_correction_T_min 0.1948 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Bruker, 2016) ; _exptl_crystal_colour 'metallic dark black' _exptl_crystal_density_diffrn 6.489 _exptl_crystal_description plate _exptl_crystal_F_000 2552 _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.06 _refine_diff_density_max 0.955 _refine_diff_density_min -0.916 _refine_ls_extinction_coef 0.000063(7) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method ; SHELXL2018 (Sheldrick, 2015b) ; _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 37 _refine_ls_number_reflns 1209 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.038 _refine_ls_R_factor_all 0.0190 _refine_ls_R_factor_gt 0.0160 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+0.6673P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0291 _refine_ls_wR_factor_ref 0.0301 _reflns_number_gt 1105 _reflns_number_total 1209 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file yp3254sup1.cif _cod_data_source_block Eu3GaAs3 _cod_original_sg_symbol_Hall '-C 2bc 2' _cod_original_formula_sum 'Eu3 Ga As3' _cod_database_code 2023561 _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. ; _shelx_estimated_absorpt_t_min 0.281 _shelx_estimated_absorpt_t_max 0.362 _shelx_hkl_file ; 0 2 0 5485.45 124.09 0 4 0 985.60 34.90 0 6 0 1013.50 41.00 0 8 0 1084.49 48.20 -1 1 0 2.30 1.10 -1 3 0 0.70 0.70 1 5 0 -0.50 0.70 -1 5 0 1.40 2.00 1 5 0 1.50 1.50 1 7 0 -2.40 1.80 -1 7 0 0.10 1.80 1 9 0 -2.50 3.20 -1 9 0 3.20 4.50 2 2 0 83.09 4.40 -2 2 0 102.39 6.50 2 -2 0 84.19 6.00 -2 4 0 0.80 1.30 2 4 0 3.40 1.30 2 6 0 34.80 8.80 -2 6 0 39.00 8.40 2 6 0 33.30 4.40 -2 8 0 9.10 5.20 2 8 0 12.70 5.10 -3 1 0 1.10 0.90 -3 1 0 1.20 0.40 -3 -1 0 1.10 0.70 3 -1 0 0.50 0.30 3 -1 0 0.90 0.50 3 1 0 0.10 0.30 3 -3 0 0.00 0.80 3 3 0 1.20 0.70 -3 3 0 0.50 0.80 -3 5 0 -0.30 1.20 3 5 0 1.40 1.10 3 5 0 0.80 1.20 3 7 0 4.20 3.80 -3 7 0 -2.10 2.60 3 7 0 -0.40 1.30 -3 9 0 3.40 4.90 3 9 0 -2.30 3.30 4 0 0 1.20 0.70 4 -2 0 90.19 4.20 4 -2 0 88.89 6.40 -4 2 0 98.29 6.80 4 2 0 95.39 5.60 -4 2 0 87.69 3.90 -4 4 0 102.69 9.00 4 4 0 98.89 6.50 4 6 0 14.30 3.10 4 6 0 14.90 5.20 -4 6 0 10.50 3.40 4 8 0 56.49 7.80 4 8 0 49.40 11.20 -5 -1 0 1.00 0.90 5 -1 0 2.00 1.20 -5 1 0 2.20 1.10 5 -1 0 0.10 0.50 -5 3 0 1.20 1.00 5 -3 0 0.00 0.80 5 3 0 -0.40 0.50 -5 5 0 -1.50 1.30 5 5 0 -0.50 0.80 -5 7 0 1.00 3.10 5 7 0 -0.90 1.30 5 9 0 -1.30 2.30 -5 9 0 5.20 5.60 5 9 0 -0.40 2.50 5 9 0 1.60 2.20 6 0 0 8807.82 330.47 -6 0 0 9239.28 535.35 -6 0 0 8986.60 332.87 6 0 0 8518.95 538.25 6 -2 0 7009.50 155.68 6 2 0 7030.20 158.78 -6 2 0 7004.10 155.38 -6 2 0 7455.15 161.98 6 -2 0 7326.67 161.58 6 -4 0 119.39 9.90 -6 4 0 114.59 9.80 6 6 0 299.67 14.40 -6 6 0 256.67 18.20 6 8 0 1767.22 66.99 6 8 0 1797.92 50.09 -6 8 0 1595.24 64.29 -7 1 0 -0.30 0.50 7 -1 0 0.30 0.50 -7 -1 0 1.50 0.90 7 1 0 0.90 0.90 -7 1 0 -0.60 0.80 7 -1 0 2.10 1.40 7 -3 0 0.30 0.60 -7 3 0 0.90 0.70 -7 3 0 0.00 1.00 7 3 0 0.30 0.80 7 -3 0 1.40 1.30 7 5 0 0.00 0.80 -7 5 0 0.70 1.60 7 7 0 1.50 2.90 -7 7 0 1.40 2.90 7 7 0 -1.60 1.20 8 0 0 156.78 8.80 8 0 0 150.98 8.30 -8 0 0 136.19 7.80 -8 2 0 14.60 3.70 8 -2 0 14.20 2.80 8 -2 0 17.80 4.00 -8 -2 0 11.90 2.90 -8 2 0 12.60 2.40 -8 4 0 44.40 7.60 8 -4 0 35.00 6.90 8 4 0 35.70 5.80 -8 6 0 9.30 3.90 8 6 0 23.70 4.80 -8 8 0 21.30 9.10 8 8 0 15.60 7.50 8 8 0 14.10 4.40 9 1 0 0.50 0.90 -9 1 0 3.50 1.90 9 -1 0 0.40 0.80 -9 1 0 0.70 0.70 9 -1 0 4.50 2.10 -9 -1 0 0.70 0.90 -9 3 0 1.90 1.60 -9 3 0 1.90 1.10 9 -3 0 0.80 1.00 9 3 0 2.80 1.60 9 -3 0 0.40 0.90 -9 5 0 1.70 2.00 9 -5 0 1.70 2.60 9 5 0 0.10 1.10 9 7 0 4.10 2.60 -9 7 0 2.70 2.50 -10 0 0 554.94 20.30 10 0 0 609.44 21.90 10 0 0 572.54 20.80 -10 2 0 21.70 5.10 10 -2 0 8.20 2.30 10 2 0 16.00 4.00 -10 -2 0 13.10 3.30 10 -2 0 15.50 3.70 -10 2 0 16.10 3.10 -10 4 0 2.30 2.00 10 -4 0 2.40 2.30 -10 4 0 3.80 1.30 10 4 0 1.50 1.30 10 -4 0 5.40 1.70 -10 6 0 220.98 17.10 10 6 0 253.17 14.80 10 8 0 56.89 10.30 10 8 0 57.49 8.30 -11 1 0 0.90 0.90 11 -1 0 3.10 1.80 -11 -1 0 2.10 1.20 11 -1 0 -0.70 0.50 11 1 0 0.60 1.10 11 3 0 1.10 1.10 11 -3 0 2.20 1.80 -11 3 0 2.50 1.80 11 -3 0 0.20 1.00 -11 3 0 0.40 0.90 11 -5 0 0.00 1.80 11 5 0 2.20 1.40 -11 5 0 0.60 2.10 -11 7 0 2.00 3.30 11 7 0 1.10 2.00 12 0 0 7073.79 159.58 -12 0 0 6837.62 158.68 12 0 0 6948.00 160.88 -12 -2 0 2182.98 59.79 12 2 0 2230.38 60.39 -12 2 0 2171.18 56.79 -12 2 0 2248.77 60.69 12 -2 0 2169.58 57.39 12 -2 0 2265.07 61.89 12 -4 0 452.75 17.50 12 -4 0 473.75 22.40 -12 4 0 502.55 23.60 -12 4 0 452.35 16.70 12 4 0 481.25 21.70 -12 6 0 606.84 30.00 12 6 0 559.04 25.10 12 8 0 622.74 37.70 12 8 0 670.03 28.90 -13 -1 0 2.40 1.80 13 1 0 0.90 1.10 13 -1 0 1.50 1.60 13 -1 0 1.50 1.30 -13 1 0 -0.10 1.00 -13 3 0 -1.00 1.10 13 -3 0 0.60 1.10 13 3 0 0.80 1.30 -13 3 0 1.90 2.50 13 -3 0 0.80 1.30 -13 5 0 -0.10 1.00 13 5 0 -0.90 1.30 -13 5 0 1.00 2.30 13 -5 0 -2.10 1.60 13 -5 0 -0.70 1.30 -13 7 0 -0.20 2.80 13 7 0 4.40 3.20 14 0 0 37.70 7.20 14 0 0 23.20 5.00 -14 0 0 27.10 5.50 -14 2 0 50.09 9.60 -14 -2 0 59.49 8.50 14 2 0 50.59 8.00 14 -2 0 54.79 8.20 -14 2 0 50.69 6.80 14 -2 0 51.89 7.00 14 -4 0 0.30 1.90 14 4 0 1.00 1.10 -14 4 0 0.90 1.10 14 -4 0 0.60 1.30 -14 4 0 0.60 2.40 14 6 0 2.50 2.60 -14 6 0 4.40 3.40 14 -6 0 4.20 3.60 15 -1 0 -0.40 1.10 -15 -1 0 1.90 1.70 15 1 0 0.30 1.50 15 -1 0 -0.90 1.20 -15 1 0 1.70 1.60 15 -3 0 1.50 1.90 -15 3 0 1.10 1.30 -15 3 0 1.60 2.00 15 3 0 -1.20 0.90 15 -3 0 -0.90 1.20 -15 5 0 0.00 1.30 -15 5 0 3.10 2.90 15 -5 0 -1.90 1.90 15 -5 0 -1.50 1.70 15 5 0 -1.10 1.70 15 7 0 -0.50 2.20 -15 7 0 4.10 3.40 16 0 0 255.37 16.10 -16 0 0 262.27 15.30 16 0 0 286.77 16.20 -16 2 0 366.86 17.50 16 2 0 354.96 19.30 16 -2 0 377.96 20.10 16 -4 0 50.19 7.10 -16 4 0 59.49 6.00 16 4 0 63.49 9.70 -16 4 0 61.99 10.30 16 -4 0 41.20 7.80 -16 6 0 116.29 12.50 16 6 0 104.79 11.00 16 -6 0 106.49 11.40 17 1 0 0.80 1.80 -17 -1 0 -0.60 1.30 17 -1 0 1.40 2.10 17 1 0 -0.60 1.50 17 -1 0 0.20 1.50 -17 1 0 -0.50 1.50 17 -3 0 0.50 1.80 17 -3 0 1.20 1.50 -17 3 0 -2.10 1.20 17 3 0 0.70 1.90 -17 3 0 2.20 2.20 17 -5 0 -0.10 1.80 -17 5 0 1.50 1.60 17 -5 0 -0.10 1.80 17 5 0 -0.10 1.50 -17 5 0 5.30 3.20 17 7 0 0.50 2.50 -17 7 0 -3.20 3.40 18 0 0 1812.82 56.99 18 0 0 1824.72 55.59 -18 0 0 1763.62 54.39 18 2 0 1812.02 56.59 -18 2 0 1820.02 53.19 18 -2 0 1769.52 53.79 18 -2 0 1801.32 57.09 18 -4 0 24.40 6.20 18 -4 0 21.50 4.80 18 4 0 13.30 4.50 -18 4 0 30.30 6.60 -18 6 0 80.59 12.80 18 -6 0 66.59 8.00 18 -6 0 82.79 15.20 18 6 0 67.79 10.40 19 1 0 0.80 1.70 19 -1 0 0.90 2.00 19 1 0 -0.50 1.50 19 -1 0 -0.10 2.00 -19 -1 0 0.00 1.60 -19 1 0 1.30 1.90 19 -3 0 1.20 1.60 19 -3 0 1.90 2.40 19 3 0 1.90 1.90 -19 5 0 0.50 3.40 19 -5 0 3.00 3.20 19 -5 0 1.30 2.80 19 5 0 2.60 2.70 -20 0 0 12.00 4.40 20 0 0 9.00 4.00 20 0 0 19.90 6.10 -20 2 0 5.70 3.80 20 -2 0 3.50 2.50 20 2 0 3.10 2.80 20 -2 0 3.20 2.60 20 -4 0 2.20 2.60 20 -4 0 2.00 1.90 -20 4 0 1.10 1.40 20 4 0 -3.60 1.90 -20 4 0 -0.50 2.40 20 -6 0 7.10 3.10 20 -6 0 8.30 4.40 -20 6 0 9.30 4.90 20 6 0 4.50 3.50 21 -1 0 1.70 1.90 21 1 0 -0.40 2.30 21 -1 0 -0.60 2.70 21 1 0 2.40 2.90 -21 1 0 0.30 1.80 21 3 0 -1.30 2.00 21 -3 0 1.20 3.60 -21 3 0 0.10 1.40 21 -3 0 3.70 2.40 -21 5 0 -2.00 2.90 21 -5 0 2.00 2.90 21 -5 0 2.10 3.70 21 5 0 -2.30 2.70 22 0 0 819.72 36.00 -22 0 0 787.62 33.30 22 0 0 828.32 35.00 22 2 0 130.99 13.40 22 2 0 111.29 11.70 22 -2 0 123.19 11.70 22 -2 0 124.89 12.30 -22 2 0 121.59 11.10 22 -4 0 14.20 5.60 22 -4 0 11.90 5.90 23 1 0 -2.40 3.30 23 1 0 -0.70 1.90 23 -1 0 2.30 2.90 -23 1 0 -2.80 1.90 23 -1 0 3.40 2.70 23 -3 0 0.60 2.80 23 -3 0 -2.00 2.90 23 3 0 -2.70 2.30 24 0 0 1023.80 43.30 24 0 0 1029.20 41.60 24 -2 0 246.18 18.60 24 -2 0 246.38 17.60 24 2 0 263.27 19.80 24 2 0 308.77 20.70 24 -4 0 81.39 11.40 24 4 0 78.59 12.70 25 1 0 1.00 4.40 25 1 0 1.60 3.00 25 -1 0 -3.70 2.40 25 -1 0 2.50 4.50 25 -3 0 -0.70 3.00 25 3 0 2.80 3.20 25 3 0 1.30 3.40 26 0 0 1.90 4.50 26 0 0 4.90 3.70 26 -2 0 0.90 3.90 26 -2 0 -4.20 3.60 26 2 0 4.80 4.40 26 2 0 6.40 4.50 0 2 -1 170.68 9.40 0 2 -1 177.38 7.30 0 4 -1 331.47 18.00 0 4 1 340.97 17.50 0 4 -1 325.87 12.80 0 6 -1 285.27 11.90 0 6 1 294.07 19.60 0 6 -1 312.37 20.90 0 6 -1 313.67 13.50 0 8 1 120.69 17.70 0 8 -1 98.49 14.00 -1 1 -1 22.10 2.00 -1 1 -1 28.10 3.80 1 1 1 21.20 1.70 1 -1 1 20.80 1.90 1 -1 1 18.20 3.00 1 1 -1 26.60 2.80 -1 3 -1 458.45 14.30 -1 3 -1 452.95 19.20 1 3 1 421.36 12.80 -1 3 1 459.25 18.30 1 3 -1 419.06 19.00 1 5 1 2.60 1.10 -1 5 -1 0.50 1.10 -1 5 -1 -0.10 1.00 1 5 1 1.60 1.50 1 5 -1 0.00 1.10 -1 5 1 0.60 1.80 1 5 -1 0.10 0.80 -1 7 -1 3.40 2.90 1 7 1 9.60 4.50 1 7 -1 4.80 2.10 1 7 -1 8.90 4.80 1 7 -1 7.30 2.90 -1 7 1 2.50 2.90 -1 9 -1 188.08 19.70 1 9 1 188.98 19.00 -1 9 1 166.48 18.10 1 9 -1 180.38 24.50 2 0 1 0.20 0.40 2 0 1 -0.10 0.30 -2 0 -1 2.20 1.00 -2 2 -1 1147.29 33.90 -2 2 -1 1224.78 29.00 2 2 1 1149.58 28.90 2 -2 1 1190.88 34.20 2 -2 1 1197.08 29.20 -2 2 1 1192.98 31.70 -2 4 -1 1715.13 41.40 2 4 1 1665.43 41.30 -2 4 -1 1617.24 50.79 -2 4 1 1729.63 49.60 2 4 -1 1634.54 51.69 -2 6 -1 706.13 33.20 2 6 1 693.73 32.70 2 6 1 745.43 22.20 -2 6 1 696.73 32.00 2 6 -1 716.53 25.30 2 6 -1 751.72 23.50 2 6 -1 668.33 33.20 -2 8 -1 54.69 11.90 2 8 1 40.20 9.00 2 8 -1 61.89 5.90 2 8 -1 67.29 13.80 2 8 -1 59.49 6.30 -3 1 -1 8.60 1.60 3 -1 -1 6.00 1.00 -3 1 -1 15.30 3.00 3 -1 -1 9.80 1.50 3 1 1 9.20 1.60 3 -1 1 9.90 2.30 3 -1 1 7.00 1.50 -3 1 1 8.20 1.60 -3 -1 -1 12.60 2.10 -3 3 -1 85.49 4.70 3 3 1 89.69 5.30 -3 3 -1 70.89 7.10 -3 3 1 76.79 6.60 3 -3 1 89.29 5.00 3 -3 1 93.09 7.90 3 5 1 49.70 4.40 -3 5 -1 70.99 10.60 -3 5 1 47.80 7.60 3 5 -1 60.09 5.30 3 5 -1 37.40 7.70 3 7 1 29.10 9.10 3 7 1 27.30 4.40 -3 7 -1 32.20 9.00 3 7 -1 25.20 7.40 -3 7 1 27.80 7.90 3 7 -1 30.50 5.00 3 7 -1 32.00 5.90 -3 9 -1 -0.80 3.80 3 9 1 -1.90 2.90 3 9 -1 3.50 3.40 -3 9 1 -5.70 3.10 4 0 1 0.20 0.50 -4 0 -1 0.60 0.70 -4 0 -1 0.00 0.50 4 0 1 0.90 0.60 4 0 -1 -0.20 0.40 -4 2 -1 769.52 26.30 4 2 1 796.12 22.70 4 -2 -1 769.92 23.10 -4 2 -1 800.62 21.20 4 -2 1 815.62 26.70 -4 2 1 807.62 23.60 -4 -2 -1 914.91 25.30 4 -2 1 796.62 21.70 -4 4 -1 1139.59 39.40 4 4 1 1167.38 32.10 4 4 -1 1147.19 32.50 4 -4 1 1168.38 39.40 4 6 1 543.25 19.60 -4 6 -1 536.35 28.40 4 6 -1 548.25 20.50 4 6 -1 561.34 30.00 -4 6 1 551.54 27.10 -4 8 -1 50.59 12.00 4 8 1 46.00 9.40 4 8 1 44.20 5.60 4 8 -1 47.40 6.50 4 8 -1 66.19 13.80 4 8 -1 63.49 9.00 5 1 1 456.15 14.90 5 -1 -1 444.26 13.70 -5 1 -1 443.36 14.00 5 -1 -1 438.56 13.20 -5 1 -1 454.45 17.10 -5 1 1 425.56 13.00 5 -1 1 440.56 14.10 5 1 -1 459.65 14.90 -5 1 1 458.05 13.70 5 -3 -1 122.19 8.20 5 3 1 125.19 7.40 -5 3 -1 125.79 9.90 -5 3 1 125.19 8.50 5 -3 1 144.19 6.80 5 -3 1 122.69 9.50 5 3 -1 120.79 7.40 5 5 1 481.25 18.00 -5 5 -1 465.45 24.20 -5 5 1 456.75 22.50 5 5 -1 472.45 18.40 5 5 -1 485.55 25.70 5 7 1 9.40 3.00 -5 7 -1 16.80 6.00 5 7 1 10.60 6.90 -5 7 1 9.80 4.50 5 7 -1 5.40 5.10 5 7 -1 10.70 2.90 5 9 1 21.30 5.40 5 9 1 22.70 5.10 -5 9 -1 19.10 9.10 5 9 1 16.70 3.80 -5 9 1 11.00 5.90 5 9 -1 16.30 4.00 5 9 -1 10.20 4.00 5 9 -1 29.90 10.00 -6 0 1 0.10 0.50 -6 0 -1 1.10 0.80 6 0 -1 1.70 0.80 6 0 1 1.60 0.90 6 0 1 0.70 0.60 -6 2 -1 108.09 5.90 -6 2 -1 101.89 8.20 6 2 1 113.39 7.00 6 -2 -1 90.69 4.80 6 -2 -1 118.59 6.90 -6 -2 -1 107.99 6.80 6 2 -1 106.19 6.80 -6 2 1 111.69 5.10 -6 2 1 113.09 7.00 6 -2 1 118.69 8.70 6 -2 1 103.99 6.00 -6 4 -1 253.77 16.00 6 4 1 252.17 12.00 -6 4 -1 242.38 9.30 -6 4 1 244.08 14.40 6 -4 1 226.38 14.70 6 4 -1 258.17 12.30 -6 6 -1 233.48 17.70 6 6 1 213.08 11.90 6 6 -1 205.48 12.00 6 6 -1 204.68 17.50 -6 6 1 228.88 16.40 -6 8 -1 123.39 20.80 6 8 1 97.59 8.10 6 8 1 54.79 11.10 -6 8 1 95.79 17.20 6 8 -1 90.09 8.30 6 8 -1 77.09 14.60 -7 1 -1 109.59 7.90 7 -1 -1 110.89 6.30 -7 1 -1 93.19 6.00 7 -1 -1 97.19 5.80 7 -1 1 93.29 6.10 7 1 -1 111.89 6.90 -7 -1 -1 111.79 6.90 7 -1 1 109.29 8.10 -7 1 1 94.49 5.60 -7 1 1 109.89 6.00 -7 3 -1 33.30 3.20 7 3 1 35.50 5.20 7 -3 -1 43.80 4.80 -7 3 -1 44.10 7.90 7 -3 1 35.70 6.20 -7 3 1 32.40 2.60 -7 -3 -1 40.90 4.40 7 -3 1 32.40 3.40 -7 3 1 40.00 6.20 7 3 -1 38.10 5.60 -7 5 -1 8.30 3.60 7 5 1 10.90 2.80 7 -5 1 11.60 4.10 -7 5 1 19.40 5.50 7 7 1 146.89 10.40 -7 7 -1 159.78 15.70 7 7 -1 170.68 11.50 7 7 -1 173.68 17.50 -7 7 1 152.88 14.60 -8 0 -1 0.80 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15 5.90 4.10 -4 4 -15 5.90 5.00 -4 4 -15 -1.50 4.60 4 -4 -15 1.40 2.70 4 4 15 10.90 7.70 4 4 15 6.90 3.30 -4 4 15 2.20 3.40 4 4 -15 0.20 3.80 4 4 -15 3.70 4.90 4 -4 15 6.90 6.00 -4 -4 -15 11.80 5.10 4 -4 15 2.80 5.00 5 1 15 144.99 16.10 5 -1 -15 129.29 14.10 -5 1 -15 152.28 15.30 5 -1 -15 150.08 12.60 -5 1 -15 125.09 18.20 5 1 15 149.19 15.10 -5 -1 15 155.68 14.00 5 -1 15 190.98 17.80 5 1 -15 145.79 15.70 -5 1 15 150.98 12.80 -5 -1 -15 150.78 14.70 5 -1 15 165.58 17.70 5 1 -15 147.79 15.50 -5 -3 15 154.38 15.40 5 3 15 179.28 18.20 -5 3 -15 225.58 20.30 -5 3 -15 195.98 28.80 5 3 15 172.68 15.60 5 -3 -15 147.49 14.00 5 3 -15 160.88 17.20 5 -3 15 172.48 17.10 5 3 -15 176.48 24.40 5 -3 15 182.98 24.00 -5 3 15 164.88 13.30 -5 -3 -15 187.18 15.70 -6 0 15 0.70 1.90 -6 0 -15 2.80 3.20 6 0 15 0.10 2.70 6 0 -15 5.80 3.70 6 0 -15 -2.70 2.20 -6 0 -15 -1.00 2.20 6 0 15 -0.60 3.70 -6 -2 15 189.98 16.00 6 -2 -15 199.58 17.30 -6 2 -15 235.28 19.50 6 2 15 219.58 18.00 6 2 15 235.28 20.70 -6 2 -15 223.18 23.30 6 2 -15 228.58 20.20 -6 -2 -15 191.18 16.20 6 2 -15 258.97 21.30 6 -2 15 234.38 19.90 -6 2 15 226.58 14.80 6 -2 15 180.88 19.50 6 4 15 388.56 24.30 -6 4 -15 396.96 26.30 -6 -4 15 392.16 25.80 6 4 15 433.56 29.00 6 -4 -15 395.96 23.30 -6 4 -15 378.56 32.40 6 4 -15 386.36 27.90 6 -4 15 412.86 27.90 -6 -4 -15 391.56 23.80 6 -4 15 434.96 31.20 6 4 -15 388.36 30.50 -6 4 15 399.16 19.90 7 -1 -15 48.10 10.90 -7 -1 15 32.60 7.10 -7 1 -15 44.50 13.40 7 1 15 30.40 7.60 7 1 15 39.70 10.50 -7 1 -15 39.40 8.70 7 1 -15 40.70 9.50 7 1 -15 26.30 7.90 7 -1 15 54.89 13.20 7 -1 15 23.90 7.20 -7 -1 -15 50.49 10.20 -7 1 15 36.10 6.60 -7 -3 15 4.00 3.30 -7 3 -15 2.10 4.90 -7 3 -15 -1.00 2.70 7 3 15 -7.60 3.50 7 3 15 -3.90 3.00 7 -3 -15 3.20 3.70 7 -3 15 6.10 5.10 -7 -3 -15 2.70 3.30 7 -3 15 -0.90 3.50 7 3 -15 -0.10 8.00 7 3 -15 1.90 4.20 -7 3 15 2.30 2.50 8 0 15 -1.30 3.00 8 0 -15 -1.70 2.80 -8 0 15 1.90 2.70 -8 0 -15 1.70 3.30 8 0 -15 3.00 3.10 -8 0 -15 0.50 2.90 8 0 15 0.10 3.30 -8 2 -15 3.60 5.00 8 2 15 5.00 3.60 8 -2 -15 2.90 2.90 -8 -2 15 11.30 4.30 8 2 15 1.50 4.10 8 2 -15 4.40 5.90 8 -2 15 19.50 7.60 -8 -2 -15 -2.00 2.30 8 -2 15 7.10 4.90 -8 2 15 5.00 3.10 8 2 -15 4.90 3.90 8 -4 -15 3.20 4.10 8 4 15 3.80 4.80 8 4 15 -3.90 2.80 -8 4 -15 3.10 6.90 -8 4 -15 1.20 4.20 8 4 -15 -0.20 4.10 8 4 -15 7.10 5.60 8 -4 15 5.70 5.70 -8 -4 -15 -1.00 3.30 -9 -1 15 24.70 6.30 9 -1 -15 17.60 6.70 9 1 15 17.20 7.20 -9 1 -15 11.00 6.30 -9 1 -15 11.10 6.00 9 1 15 4.60 3.80 9 -1 15 10.60 5.40 9 -1 15 21.30 7.40 9 1 -15 21.60 7.00 -9 1 15 12.00 4.10 -9 -1 -15 8.40 4.00 9 1 -15 11.80 4.70 9 3 15 41.00 9.90 -9 3 -15 32.00 8.30 -9 3 -15 40.10 11.20 9 3 15 23.80 7.90 9 3 -15 48.40 13.90 9 -3 15 37.40 10.00 9 -3 15 27.40 8.20 9 3 -15 27.30 9.00 -9 -3 -15 35.70 7.80 -10 0 15 -0.20 2.30 10 0 15 -2.50 2.90 10 0 -15 -4.20 2.50 -10 0 -15 1.30 4.40 -10 0 -15 -3.10 2.90 10 0 15 0.70 3.30 10 0 -15 -2.80 1.90 10 2 15 14.70 6.10 10 2 15 19.10 7.20 10 -2 -15 12.70 6.40 -10 2 -15 9.70 6.10 -10 2 -15 17.60 8.80 10 2 -15 22.50 7.00 -10 -2 -15 6.80 4.40 10 2 -15 5.20 5.40 10 -2 15 17.90 9.80 10 -2 15 13.10 7.00 11 1 15 11.60 4.90 -11 1 -15 3.30 4.30 -11 1 -15 9.80 5.40 11 -1 -15 16.20 6.00 11 1 15 17.50 7.50 11 -1 15 10.80 4.70 -11 -1 -15 18.60 7.00 11 1 -15 20.90 6.60 11 1 -15 20.10 7.70 -11 3 -15 586.14 32.00 11 3 15 549.54 31.30 -11 3 -15 482.65 37.40 11 3 15 628.34 38.70 11 3 -15 552.44 34.60 11 -3 15 586.04 34.10 -11 -3 -15 617.44 32.10 11 -3 15 614.54 39.40 12 0 -15 1.10 3.00 12 0 15 3.70 5.50 12 0 -15 0.80 3.00 -12 0 -15 1.10 4.10 12 0 15 0.00 3.50 -12 0 -15 -0.20 3.10 12 2 15 158.48 16.20 -12 2 -15 142.79 22.50 12 -2 -15 149.99 15.80 -12 2 -15 137.09 15.20 12 2 15 173.68 19.50 12 -2 15 143.49 21.30 12 -2 15 147.09 19.50 12 2 -15 142.69 20.30 12 2 -15 165.98 16.10 -12 -2 -15 158.08 15.60 13 1 15 18.50 7.50 -13 1 -15 6.70 5.40 13 -1 -15 12.30 5.50 13 1 15 5.40 6.80 13 -1 15 9.40 4.60 13 1 -15 4.30 3.50 13 -1 15 4.50 5.60 -13 -1 -15 17.60 6.20 13 1 -15 5.50 4.70 -14 0 -15 -1.20 3.40 14 0 15 0.80 4.20 14 0 -15 -4.50 4.00 14 0 15 -4.40 4.00 0 0 16 642.14 34.60 0 0 16 685.83 35.40 0 0 -16 645.24 34.50 0 0 -16 737.53 36.90 0 -2 16 142.69 18.30 0 -2 16 164.78 16.90 0 2 16 143.39 15.60 0 2 -16 165.58 23.30 0 2 16 157.78 15.20 0 2 -16 151.08 16.40 0 4 16 118.69 16.40 0 4 -16 97.19 18.30 0 4 16 122.59 12.90 0 4 -16 108.69 16.80 0 -4 16 164.78 17.80 0 -4 -16 126.39 16.10 -1 -1 16 43.10 10.60 -1 -1 16 55.79 11.30 1 1 16 39.00 9.00 -1 1 -16 37.40 12.90 1 1 16 43.80 9.50 1 -1 -16 49.20 10.80 -1 1 -16 56.49 11.20 1 1 -16 30.30 9.40 -1 1 16 50.09 10.00 1 1 -16 35.00 9.10 -1 -1 -16 45.00 9.80 1 -1 16 36.40 12.80 1 -1 16 57.69 11.80 -1 1 16 56.69 10.30 1 3 16 0.10 4.50 -1 3 -16 9.50 7.70 1 -3 -16 5.20 4.00 -1 -3 16 1.60 4.40 -1 3 -16 10.80 5.70 1 3 16 6.20 4.60 1 -3 16 3.00 4.10 -1 3 16 2.10 3.60 1 3 -16 8.80 5.60 -1 3 16 7.90 5.90 1 -3 16 6.90 6.00 -1 -3 -16 6.20 3.90 2 0 16 509.15 30.20 -2 0 16 545.85 31.10 2 0 -16 579.64 30.90 2 0 -16 541.75 31.20 -2 0 -16 492.45 29.50 -2 0 16 546.35 29.90 2 0 16 580.44 33.50 -2 -2 16 432.36 27.30 -2 2 -16 411.86 27.30 2 2 16 427.86 26.10 -2 2 -16 425.86 31.70 2 -2 -16 423.06 26.30 2 2 16 437.26 28.00 2 -2 16 431.06 29.40 2 2 -16 425.26 28.10 2 -2 16 475.75 29.70 -2 2 16 425.96 25.40 -2 2 16 436.86 26.20 -2 -2 -16 403.66 25.70 2 4 16 5.20 5.40 2 4 16 6.00 4.30 -2 -4 16 -2.80 6.80 -2 4 -16 3.20 4.40 -2 4 -16 7.20 7.20 2 4 -16 14.50 9.10 -2 -4 -16 14.40 5.40 2 4 -16 7.70 5.40 -2 4 16 9.20 3.90 2 -4 16 6.80 5.20 -2 4 16 13.10 5.60 3 1 16 696.93 35.50 3 -1 -16 660.73 34.70 3 1 16 706.83 37.60 -3 1 -16 662.43 38.90 -3 1 -16 669.33 35.40 -3 -1 16 704.23 34.40 -3 -1 -16 711.53 35.10 3 1 -16 753.82 37.80 3 -1 16 739.13 37.20 3 -1 16 643.54 37.00 -3 1 16 624.14 36.40 3 1 -16 627.64 34.80 3 -3 -16 170.18 15.70 -3 3 -16 147.59 22.00 3 3 16 147.99 16.40 -3 3 -16 177.98 17.70 -3 -3 16 165.08 16.70 3 3 16 177.88 16.10 3 3 -16 172.28 30.50 -3 3 16 167.48 14.70 -3 -3 -16 170.88 15.60 3 3 -16 157.28 22.90 3 -3 16 176.58 17.70 3 -3 16 164.78 18.60 4 0 -16 555.14 31.90 4 0 16 520.15 33.00 4 0 -16 585.74 30.20 -4 0 16 584.04 29.10 -4 0 -16 512.65 32.50 4 0 16 509.65 30.50 -4 2 -16 142.79 21.20 4 2 16 151.78 15.80 4 2 16 134.19 18.70 -4 -2 16 143.79 14.70 -4 2 -16 180.38 17.60 4 -2 -16 159.38 15.90 -4 -2 -16 194.38 17.10 4 2 -16 191.48 18.30 4 -2 16 184.08 19.50 -4 2 16 179.38 14.90 4 -2 16 176.88 17.60 -5 -1 16 8.20 4.60 -5 1 -16 18.70 5.90 -5 1 -16 27.90 9.40 5 1 16 23.70 6.70 5 1 16 31.80 8.60 5 -1 -16 16.00 6.70 5 -1 16 33.90 9.60 5 1 -16 26.80 8.60 5 -1 16 21.50 7.70 -5 -1 -16 23.20 7.80 -5 1 16 15.60 4.70 5 1 -16 17.60 6.70 -5 3 -16 3.80 6.50 5 -3 -16 2.50 4.20 5 3 16 -1.40 3.90 5 3 16 2.20 3.70 -5 3 -16 4.50 4.20 -5 -3 16 1.90 4.20 -5 3 16 -1.50 3.40 5 3 -16 -2.70 3.10 -5 -3 -16 -1.00 2.60 5 -3 16 -0.10 5.60 5 3 -16 0.10 5.50 5 -3 16 -1.60 4.90 6 0 16 202.08 22.10 6 0 16 250.97 22.70 6 0 -16 204.08 18.70 6 0 -16 229.18 17.50 -6 0 -16 210.48 18.40 -6 0 -16 191.68 19.80 -6 0 16 189.78 15.30 6 2 16 406.16 25.90 -6 2 -16 354.26 32.60 6 2 16 403.46 28.80 -6 -2 16 437.56 25.30 -6 2 -16 413.76 31.60 6 -2 -16 365.36 24.70 -6 2 16 386.26 20.50 6 -2 16 345.37 25.80 6 2 -16 410.96 28.30 6 -2 16 351.76 28.30 6 2 -16 400.16 27.60 -6 -2 -16 380.46 24.30 -7 -1 16 81.89 12.00 -7 1 -16 94.59 18.20 -7 1 -16 77.89 12.90 7 1 16 104.09 16.90 7 1 16 78.89 13.10 7 -1 16 70.39 12.00 7 -1 16 76.99 15.00 -7 1 16 88.49 9.40 7 1 -16 71.59 13.00 -7 -1 -16 78.99 12.80 7 1 -16 89.39 14.20 -7 -3 16 6.60 5.20 -7 3 -16 7.00 5.00 7 -3 -16 15.60 6.50 -7 3 -16 14.80 8.10 7 3 16 2.70 4.40 7 3 16 14.10 6.30 7 3 -16 23.80 12.90 7 3 -16 19.30 7.50 -7 3 16 9.70 4.40 7 -3 16 21.40 8.00 -7 -3 -16 10.30 6.20 7 -3 16 5.50 4.90 -8 0 -16 712.43 41.20 -8 0 16 734.23 30.40 8 0 -16 779.42 39.60 8 0 16 734.43 37.60 8 0 16 757.72 42.50 -8 0 -16 722.83 36.50 8 0 -16 775.22 33.10 8 2 16 298.87 25.40 8 2 16 270.67 21.60 -8 -2 16 294.57 20.20 -8 2 -16 308.97 28.60 8 -2 -16 362.76 24.50 -8 2 -16 309.97 23.40 8 -2 16 311.67 26.70 8 2 -16 347.67 26.10 8 2 -16 299.77 23.70 -8 -2 -16 301.47 21.60 -8 2 16 315.07 15.80 8 -2 16 303.97 23.90 9 -1 -16 535.65 36.10 -9 1 -16 576.64 31.90 9 1 16 616.94 38.30 -9 1 -16 502.05 36.00 9 1 16 553.44 31.60 9 1 -16 530.15 32.80 9 1 -16 541.65 29.40 -9 -1 -16 545.15 30.90 -9 1 16 517.45 21.90 9 -1 16 488.75 41.50 9 -1 16 536.65 31.80 -10 0 16 132.79 10.70 10 0 16 117.79 20.50 -10 0 -16 141.39 22.40 10 0 -16 91.99 14.80 10 0 -16 161.48 12.70 -10 0 -16 121.19 16.50 10 0 16 123.49 17.20 -10 2 -16 182.68 25.80 10 2 16 194.48 21.10 -10 2 -16 197.28 18.00 10 -2 -16 198.08 18.80 10 2 16 238.88 20.40 10 -2 16 152.18 19.30 10 -2 16 198.18 21.70 -10 -2 -16 203.98 18.00 10 2 -16 215.98 21.10 10 2 -16 177.78 17.20 11 1 16 7.90 8.00 11 1 16 16.90 7.20 11 -1 -16 5.20 5.80 -11 1 -16 20.10 8.30 11 -1 16 -1.70 4.30 11 1 -16 14.90 7.50 11 1 -16 6.90 5.00 11 -1 16 4.50 4.40 -11 -1 -16 19.90 7.60 12 0 -16 263.67 21.90 -12 0 -16 310.97 23.20 12 0 16 297.87 26.70 12 0 16 283.07 22.90 12 0 -16 272.87 16.30 0 0 -17 1.20 3.20 0 0 -17 0.60 3.20 0 0 17 -2.30 3.80 0 0 17 0.90 3.50 0 2 17 298.27 22.00 0 2 -17 322.47 27.20 0 -2 -17 298.47 23.60 0 2 -17 325.27 24.90 0 2 17 326.07 23.60 0 -2 17 314.37 24.40 1 -1 -17 80.29 13.50 -1 1 -17 98.09 18.50 1 1 17 86.89 15.30 -1 -1 17 62.29 12.90 -1 1 -17 72.49 13.30 -1 -1 17 83.19 13.10 1 1 17 74.69 13.90 1 -1 17 59.69 12.00 1 -1 17 49.00 10.80 -1 -1 -17 67.99 12.50 1 1 -17 63.39 13.00 -1 1 17 76.19 13.10 -1 1 17 125.19 17.30 1 1 -17 76.89 15.20 2 0 17 -1.50 3.30 2 0 -17 1.70 4.30 -2 0 -17 -3.40 3.50 2 0 -17 -1.00 3.00 2 0 17 1.60 3.80 -2 0 -17 -4.30 3.90 -2 0 17 -0.70 3.50 2 -2 -17 50.49 11.10 2 2 17 34.70 9.00 2 2 17 30.60 8.00 -2 2 -17 48.70 12.70 -2 -2 17 32.30 9.70 2 -2 17 42.80 11.00 2 2 -17 40.80 11.50 2 -2 17 20.00 7.80 2 2 -17 42.00 11.20 -2 2 17 37.90 8.30 -2 -2 -17 50.69 9.70 -2 2 17 28.60 8.30 3 1 17 7.80 5.60 3 -1 -17 15.00 6.20 -3 1 -17 21.90 7.30 -3 1 -17 31.20 9.20 3 1 17 16.90 7.70 -3 -1 17 13.60 6.10 -3 1 17 22.50 7.10 3 -1 17 8.10 5.20 3 1 -17 20.90 7.40 -3 -1 -17 10.30 5.90 3 -1 17 -0.70 5.30 4 0 17 -1.00 4.10 4 0 -17 -3.60 3.20 -4 0 -17 1.00 3.60 -4 0 17 3.70 3.90 -4 0 -17 -1.40 3.20 4 0 -17 -2.20 3.20 4 2 17 16.00 6.90 4 -2 -17 8.20 5.40 -4 -2 17 -0.50 4.20 -4 2 -17 9.30 6.30 4 2 17 0.70 4.80 4 2 -17 6.20 4.60 4 2 -17 9.40 5.30 -4 -2 -17 5.00 5.30 4 -2 17 11.50 10.40 4 -2 17 8.70 5.30 5 1 17 -1.60 3.90 5 1 17 2.90 4.70 -5 1 -17 0.50 4.10 -5 1 -17 0.80 3.10 -5 -1 17 5.40 4.30 5 -1 -17 -3.90 4.30 5 -1 17 5.90 5.60 -5 1 17 -6.50 3.70 -5 -1 -17 -1.90 3.00 5 1 -17 -1.70 3.80 5 -1 17 3.10 4.30 5 1 -17 -5.50 3.00 -6 0 17 -2.90 2.60 6 0 17 0.90 4.20 6 0 17 1.80 4.80 6 0 -17 -0.30 3.60 6 0 -17 1.40 3.50 -6 0 -17 1.50 3.60 -6 0 -17 -0.20 3.20 6 -2 -17 275.37 22.00 -6 2 -17 283.67 22.20 -6 2 -17 273.17 25.60 6 2 17 258.07 23.60 6 2 17 259.87 20.80 -6 -2 17 250.77 19.60 6 2 -17 257.77 22.60 6 -2 17 236.78 21.50 -6 2 17 252.27 16.40 6 -2 17 235.08 23.20 -6 -2 -17 269.17 20.80 7 1 17 -3.70 3.80 -7 1 -17 4.70 4.70 -7 1 -17 8.90 6.50 7 -1 -17 18.70 7.80 -7 -1 17 1.10 3.60 7 1 17 3.80 4.80 7 1 -17 1.60 4.80 7 -1 17 16.80 6.90 7 -1 17 11.00 6.50 7 1 -17 0.50 3.80 -7 1 17 7.00 3.80 -7 -1 -17 9.30 4.50 8 0 -17 -1.50 3.80 8 0 17 2.10 4.40 8 0 17 -0.10 5.30 8 0 -17 0.10 3.70 -8 0 -17 1.70 4.60 -8 0 17 -0.80 2.80 -8 0 -17 -0.70 4.20 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 19044 _shelx_res_file ; TITL ag_sbar0234_a.res in Cmca ag_sbar0234.res created by SHELXL-2019/3 at 18:52:05 on 09-Jul-2026 REM Old TITL ag_sbar0234 in Cmca REM SHELXT solution in Cmca: R1 0.027, Rweak 0.001, Alpha 0.007 REM 0.696 for 114 systematic absences, Orientation as input REM Formula found by SHELXT: As4 Eu3 CELL 0.56086 18.9798 6.4415 12.5646 90 90 90 ZERR 8 0.0006 0.0002 0.0004 0 0 0 LATT 7 SYMM -X,0.5-Y,0.5+Z SYMM -X,0.5+Y,0.5-Z SYMM +X,-Y,-Z SFAC As Eu Ga DISP As 0.2758 1.3314 4327 DISP Eu -0.3977 2.4351 8128.2 DISP Ga 0.3179 1.0589 3446 UNIT 24 24 8 L.S. 10 PLAN 2 SIZE 0.06 0.06 0.08 TEMP -173.15 CONF list 4 MORE -1 fmap 2 53 acta REM REM REM WGHT 0.000000 0.667300 EXTI 0.000063 FVAR 0.05652 EU1 2 0.175956 0.306083 0.130267 11.00000 0.00517 0.00528 = 0.00502 -0.00024 -0.00051 -0.00002 EU2 2 0.000000 0.184166 0.352725 10.50000 0.00480 0.00504 = 0.00497 -0.00013 0.00000 0.00000 GA1 3 0.086897 0.000000 0.000000 10.50000 0.00452 0.00375 = 0.00509 0.00002 0.00000 0.00000 AS1 1 0.339465 0.288994 0.122300 11.00000 0.00434 0.00566 = 0.00500 0.00042 0.00066 -0.00023 AS2 1 0.000000 0.210475 0.105659 10.50000 0.00454 0.00500 = 0.00508 -0.00066 0.00000 0.00000 HKLF 4 REM ag_sbar0234_a.res in Cmca REM wR2 = 0.0301, GooF = S = 1.038, Restrained GooF = 1.038 for all data REM R1 = 0.0160 for 1105 Fo > 4sig(Fo) and 0.0190 for all 1209 data REM 37 parameters refined using 0 restraints END WGHT 0.0000 0.7154 REM Highest difference peak 0.955, deepest hole -0.916, 1-sigma level 0.248 Q1 1 0.0000 0.0013 0.1010 10.50000 0.05 0.95 Q2 1 0.3419 0.1386 0.0604 11.00000 0.05 0.92 ; _shelx_res_checksum 64178 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y+1/2, z+1/2' '-x, y+1/2, -z+1/2' 'x, -y, -z' 'x+1/2, y+1/2, z' '-x+1/2, -y+1, z+1/2' '-x+1/2, y+1, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x, y-1/2, -z-1/2' 'x, -y-1/2, z-1/2' '-x, y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, y, -z-1/2' 'x+1/2, -y, z-1/2' '-x+1/2, y+1/2, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Eu Eu1 0.17596(2) 0.30608(3) 0.13027(2) 0.00516(5) Uani d 1 . . Eu Eu2 0.000000 0.18417(4) 0.35273(2) 0.00494(6) Uani d 1 . . Ga Ga1 0.08690(3) 0.000000 0.000000 0.00445(11) Uani d 1 . . As As1 0.33947(2) 0.28899(6) 0.12230(3) 0.00500(8) Uani d 1 . . As As2 0.000000 0.21048(9) 0.10566(4) 0.00487(10) Uani d 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Eu1 0.00517(8) 0.00528(10) 0.00502(8) -0.00002(6) -0.00051(6) -0.00024(6) Eu2 0.00480(11) 0.00504(13) 0.00497(11) 0.000 0.000 -0.00013(9) Ga1 0.0045(2) 0.0038(3) 0.0051(2) 0.000 0.000 0.00002(19) As1 0.00434(16) 0.00566(18) 0.00500(15) -0.00023(13) 0.00066(13) 0.00042(13) As2 0.0045(2) 0.0050(2) 0.0051(2) 0.000 0.000 -0.00066(18) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source As As 0.2758 1.3314 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Eu Eu -0.3977 2.4351 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.3179 1.0589 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Eu1 Eu1 Eu1 7_545 4_565 125.515(4) ? Eu1 Eu1 Eu1 4_565 16_545 117.201(4) ? Eu1 Eu1 Eu1 7_545 16_545 63.329(5) ? Eu1 Eu1 Eu1 7_545 16 63.329(5) ? Eu1 Eu1 Eu1 16 16_545 97.777(8) ? Eu1 Eu1 Eu1 4_565 16 62.801(4) ? Eu1 Eu1 Eu2 4_565 10_566 71.581(5) ? Eu1 Eu1 Eu2 7_545 10_566 120.871(6) ? Eu2 Eu1 Eu1 10_566 16 95.003(5) ? Eu2 Eu1 Eu1 10_566 16_545 166.880(6) ? Ga1 Eu1 Eu1 . 16_545 83.001(9) ? Ga1 Eu1 Eu1 . 4_565 88.040(6) ? Ga1 Eu1 Eu1 . 7_545 139.952(6) ? Ga1 Eu1 Eu1 . 16 147.776(6) ? Ga1 Eu1 Eu2 . 10_566 87.774(11) ? Ga1 Eu1 As1 . 16 124.784(11) ? Ga1 Eu1 As1 . . 120.668(13) ? Ga1 Eu1 As1 . 13 46.190(9) ? Ga1 Eu1 As1 . 16_545 45.279(8) ? Ga1 Eu1 As1 . 7_545 117.149(10) ? Ga1 Eu1 As2 . . 45.282(13) ? As1 Eu1 Eu1 16 7_545 95.010(7) ? As1 Eu1 Eu1 16_545 7_545 94.680(7) ? As1 Eu1 Eu1 16_545 16_545 46.158(6) ? As1 Eu1 Eu1 7_545 7_545 48.461(8) ? As1 Eu1 Eu1 7_545 16 95.056(8) ? As1 Eu1 Eu1 . 4_565 89.765(7) ? As1 Eu1 Eu1 7_545 4_565 144.324(11) ? As1 Eu1 Eu1 7_545 16_545 92.008(8) ? As1 Eu1 Eu1 13 16 101.625(8) ? As1 Eu1 Eu1 . 16 50.944(9) ? As1 Eu1 Eu1 13 4_565 48.481(8) ? As1 Eu1 Eu1 16 16 46.515(7) ? As1 Eu1 Eu1 16_545 4_565 125.471(10) ? As1 Eu1 Eu1 16_545 16 143.875(9) ? As1 Eu1 Eu1 16 4_565 51.012(8) ? As1 Eu1 Eu1 . 16_545 46.885(9) ? As1 Eu1 Eu1 . 7_545 48.828(8) ? As1 Eu1 Eu1 16 16_545 144.223(10) ? As1 Eu1 Eu1 13 16_545 85.246(7) ? As1 Eu1 Eu1 13 7_545 140.909(10) ? As1 Eu1 Eu2 . 10_566 145.943(10) ? As1 Eu1 Eu2 16 10_566 48.743(8) ? As1 Eu1 Eu2 13 10_566 95.093(8) ? As1 Eu1 Eu2 7_545 10_566 83.902(8) ? As1 Eu1 Eu2 16_545 10_566 121.122(9) ? As1 Eu1 As1 . 7_545 97.145(10) ? As1 Eu1 As1 7_545 13 163.310(11) ? As1 Eu1 As1 . 13 92.974(10) ? As1 Eu1 As1 . 16 97.339(11) ? As1 Eu1 As1 16 13 98.513(10) ? As1 Eu1 As1 13 16_545 76.993(11) ? As1 Eu1 As1 . 16_545 92.932(11) ? As1 Eu1 As1 16 16_545 169.015(14) ? As1 Eu1 As1 7_545 16_545 89.227(11) ? As1 Eu1 As1 7_545 16 93.334(11) ? As1 Eu1 As2 13 . 77.814(11) ? As1 Eu1 As2 . . 165.679(13) ? As1 Eu1 As2 16 . 94.883(12) ? As1 Eu1 As2 16_545 . 74.441(12) ? As1 Eu1 As2 7_545 . 89.548(11) ? As2 Eu1 Eu1 . 16_545 120.523(10) ? As2 Eu1 Eu1 . 16 141.264(11) ? As2 Eu1 Eu1 . 7_545 137.293(11) ? As2 Eu1 Eu1 . 4_565 92.148(9) ? As2 Eu1 Eu2 . 10_566 47.212(10) ? Eu1 Eu2 Eu1 3_545 10_556 107.586(9) ? Eu2 Eu2 Eu1 10_566 10_556 119.436(5) ? Eu2 Eu2 Eu1 10_566 3_545 119.436(5) ? Eu2 Eu2 Eu1 10_556 3_545 64.731(4) ? Eu2 Eu2 Eu1 10_556 10_556 64.731(3) ? Eu2 Eu2 Eu2 10_556 10_566 102.576(11) ? Ga1 Eu2 Eu1 10_566 10_556 85.902(9) ? Ga1 Eu2 Eu1 2 10_556 139.334(10) ? Ga1 Eu2 Eu1 10_566 3_545 139.334(10) ? Ga1 Eu2 Eu1 2 3_545 85.902(9) ? Ga1 Eu2 Eu2 10_566 10_566 82.290(4) ? Ga1 Eu2 Eu2 2 10_566 82.290(4) ? Ga1 Eu2 Eu2 2 10_556 148.863(10) ? Ga1 Eu2 Eu2 10_566 10_556 148.863(10) ? Ga1 Eu2 Ga1 10_566 2 61.903(19) ? Ga1 Eu2 As2 10_566 10_566 44.359(9) ? Ga1 Eu2 As2 2 2 45.828(9) ? Ga1 Eu2 As2 10_566 2 45.828(9) ? Ga1 Eu2 As2 2 10_566 44.359(9) ? As1 Eu2 Eu1 14_456 3_545 48.524(8) ? As1 Eu2 Eu1 14_456 10_556 154.869(11) ? As1 Eu2 Eu1 7_545 3_545 154.869(11) ? As1 Eu2 Eu1 7_545 10_556 48.524(8) ? As1 Eu2 Eu2 14_456 10_556 103.330(8) ? As1 Eu2 Eu2 7_545 10_556 103.330(8) ? As1 Eu2 Eu2 14_456 10_566 83.949(8) ? As1 Eu2 Eu2 7_545 10_566 83.949(8) ? As1 Eu2 Ga1 7_545 10_566 46.058(12) ? As1 Eu2 Ga1 14_456 2 46.058(12) ? As1 Eu2 Ga1 14_456 10_566 107.776(14) ? As1 Eu2 Ga1 7_545 2 107.776(14) ? As1 Eu2 As1 7_545 14_456 152.534(17) ? As1 Eu2 As2 14_456 2 81.790(8) ? As1 Eu2 As2 7_545 10_566 76.819(9) ? As1 Eu2 As2 14_456 10_566 76.819(9) ? As1 Eu2 As2 7_545 2 81.790(8) ? As2 Eu2 Eu1 2 3_545 94.152(8) ? As2 Eu2 Eu1 10_566 10_556 125.009(5) ? As2 Eu2 Eu1 2 10_556 94.152(8) ? As2 Eu2 Eu1 10_556 10_556 53.935(4) ? As2 Eu2 Eu1 . 10_556 94.797(8) ? As2 Eu2 Eu1 10_556 3_545 53.935(4) ? As2 Eu2 Eu1 10_566 3_545 125.009(5) ? As2 Eu2 Eu1 . 3_545 94.797(8) ? As2 Eu2 Eu2 10_556 10_556 48.436(9) ? As2 Eu2 Eu2 . 10_556 54.413(13) ? As2 Eu2 Eu2 10_566 10_566 47.480(9) ? As2 Eu2 Eu2 2 10_556 140.766(13) ? As2 Eu2 Eu2 2 10_566 116.657(12) ? As2 Eu2 Eu2 10_566 10_556 150.056(12) ? As2 Eu2 Eu2 10_556 10_566 151.013(13) ? As2 Eu2 Eu2 . 10_566 48.164(12) ? As2 Eu2 Ga1 . 10_566 122.793(11) ? As2 Eu2 Ga1 10_556 10_566 121.860(10) ? As2 Eu2 Ga1 10_556 2 121.860(10) ? As2 Eu2 Ga1 . 2 122.793(11) ? As2 Eu2 As1 10_556 7_545 101.262(9) ? As2 Eu2 As1 10_556 14_456 101.262(9) ? As2 Eu2 As1 . 14_456 95.058(8) ? As2 Eu2 As1 . 7_545 95.058(8) ? As2 Eu2 As2 2 10_566 69.178(16) ? As2 Eu2 As2 10_556 2 92.330(15) ? As2 Eu2 As2 10_556 . 102.849(16) ? As2 Eu2 As2 . 2 164.821(10) ? As2 Eu2 As2 10_556 10_566 161.508(19) ? As2 Eu2 As2 . 10_566 95.643(16) ? Eu1 Ga1 Eu1 4 . 113.18(2) ? Eu1 Ga1 Eu2 . 2_554 100.568(6) ? Eu1 Ga1 Eu2 . 10_556 112.519(6) ? Eu1 Ga1 Eu2 4 2_554 112.518(6) ? Eu1 Ga1 Eu2 4 10_556 100.568(6) ? Eu2 Ga1 Eu2 10_556 2_554 118.096(19) ? As1 Ga1 Eu1 16_545 4 70.633(14) ? As1 Ga1 Eu1 13 . 70.632(14) ? As1 Ga1 Eu1 13 4 73.237(14) ? As1 Ga1 Eu1 16_545 . 73.237(14) ? As1 Ga1 Eu2 13 2_554 65.480(9) ? As1 Ga1 Eu2 13 10_556 173.804(15) ? As1 Ga1 Eu2 16_545 2_554 173.804(15) ? As1 Ga1 Eu2 16_545 10_556 65.480(9) ? As1 Ga1 As1 16_545 13 111.47(3) ? As1 Ga1 As2 16_545 . 109.740(14) ? As1 Ga1 As2 16_545 9 113.638(15) ? As1 Ga1 As2 13 9 109.740(14) ? As1 Ga1 As2 13 . 113.638(15) ? As2 Ga1 Eu1 . 4 171.54(2) ? As2 Ga1 Eu1 9 . 171.54(2) ? As2 Ga1 Eu1 . . 74.533(9) ? As2 Ga1 Eu1 9 4 74.532(9) ? As2 Ga1 Eu2 . 10_556 72.543(16) ? As2 Ga1 Eu2 . 2_554 67.987(15) ? As2 Ga1 Eu2 9 2_554 72.544(16) ? As2 Ga1 Eu2 9 10_556 67.987(15) ? As2 Ga1 As2 . 9 98.01(3) ? Eu1 As1 Eu1 . 16 82.899(10) ? Eu1 As1 Eu1 7_545 13 166.211(14) ? Eu1 As1 Eu1 . 7_545 82.712(10) ? Eu1 As1 Eu1 . 13 87.027(10) ? Eu1 As1 Eu1 . 16_545 86.602(10) ? Eu1 As1 Eu1 16_545 13 80.508(10) ? Eu1 As1 Eu1 7_545 16_545 89.680(10) ? Eu1 As1 Eu1 7_545 16 85.811(10) ? Eu1 As1 Eu1 16_545 16 169.017(14) ? Eu1 As1 Eu1 13 16 102.081(11) ? Eu1 As1 Eu2 7_545 14_556 89.943(11) ? Eu1 As1 Eu2 . 14_556 167.085(15) ? Eu1 As1 Eu2 16_545 14_556 82.733(11) ? Eu2 As1 Eu1 14_556 13 98.326(11) ? Eu2 As1 Eu1 14_556 16 107.238(12) ? Ga1 As1 Eu1 13 16 61.484(11) ? Ga1 As1 Eu1 13 . 124.259(18) ? Ga1 As1 Eu1 13 16_545 128.125(15) ? Ga1 As1 Eu1 13 7_545 130.494(15) ? Ga1 As1 Eu1 13 13 63.177(10) ? Ga1 As1 Eu2 13 14_556 68.461(15) ? Eu1 As2 Eu1 12 . 156.682(19) ? Eu1 As2 Eu2 12 10_556 99.478(10) ? Eu1 As2 Eu2 . 10_556 99.478(10) ? Eu2 As2 Eu1 10_566 12 78.853(10) ? Eu2 As2 Eu1 2_554 . 92.921(9) ? Eu2 As2 Eu1 . . 85.372(9) ? Eu2 As2 Eu1 . 12 85.371(9) ? Eu2 As2 Eu1 10_566 . 78.853(10) ? Eu2 As2 Eu1 2_554 12 92.922(9) ? Eu2 As2 Eu2 10_566 2_554 87.670(15) ? Eu2 As2 Eu2 10_566 10_556 161.508(19) ? Eu2 As2 Eu2 10_566 . 83.401(14) ? Eu2 As2 Eu2 2_554 10_556 110.822(16) ? Eu2 As2 Eu2 . 10_556 78.107(13) ? Eu2 As2 Eu2 . 2_554 171.07(2) ? Ga1 As2 Eu1 . . 60.185(11) ? Ga1 As2 Eu1 . 12 141.98(2) ? Ga1 As2 Eu1 9 12 60.185(11) ? Ga1 As2 Eu1 9 . 141.98(2) ? Ga1 As2 Eu2 9 10_566 128.368(16) ? Ga1 As2 Eu2 . 2_554 66.185(12) ? Ga1 As2 Eu2 9 . 119.859(16) ? Ga1 As2 Eu2 9 10_556 63.097(13) ? Ga1 As2 Eu2 . . 119.859(16) ? Ga1 As2 Eu2 . 10_556 63.097(13) ? Ga1 As2 Eu2 9 2_554 66.185(12) ? Ga1 As2 Eu2 . 10_566 128.368(16) ? Ga1 As2 Ga1 9 . 81.99(3) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Eu1 Eu1 7_545 4.1174(4) ? Eu1 Eu1 16_545 4.2748(3) ? Eu1 Eu1 4_565 4.1179(4) ? Eu1 Eu1 16 4.2747(3) ? Eu1 Eu2 10_566 4.1388(3) ? Eu1 Ga1 . 3.0698(4) ? Eu1 As1 16 3.1260(4) ? Eu1 As1 13 3.2452(4) ? Eu1 As1 16_545 3.3451(4) ? Eu1 As1 . 3.1069(4) ? Eu1 As1 7_545 3.1246(4) ? Eu1 As2 . 3.4100(2) ? Eu2 Eu2 10_556 4.1276(3) ? Eu2 Eu2 10_566 4.1276(3) ? Eu2 Ga1 2 3.2067(4) ? Eu2 Ga1 10_566 3.2067(4) ? Eu2 As1 14_456 3.1366(4) ? Eu2 As1 7_545 3.1366(4) ? Eu2 As2 10_566 3.4303(6) ? Eu2 As2 2 3.2497(6) ? Eu2 As2 . 3.1089(6) ? Eu2 As2 10_556 3.0957(6) ? Ga1 As1 16_545 2.4823(5) ? Ga1 As1 13 2.4823(5) ? Ga1 As2 . 2.5141(6) ? Ga1 As2 9 2.5141(6) ? _cod_database_fobs_code 2023561