# Supplementary Material (ESI) for Journal of Materials Chemistry # This journal is © The Royal Society of Chemistry 1999 # CCDC Number: 1145/176 data_tetra _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Cu2 Eu K Te4' _chemical_formula_weight 828.54 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cu' 'Cu' 0.3201 1.2651 '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' 'Eu' 'Eu' -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-y, x, z' 'y, -x, z' 'x, -y, z' '-x, y, z' '-y, -x, z' 'y, x, z' _cell_length_a 4.4365(6) _cell_length_b 4.4365(6) _cell_length_c 11.365(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 223.69(6) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 6.151 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 348 _exptl_absorpt_coefficient_mu 24.789 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 1597 _diffrn_reflns_av_R_equivalents 0.1473 _diffrn_reflns_av_sigmaI/netI 0.0732 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 3.59 _diffrn_reflns_theta_max 24.96 _reflns_number_total 295 _reflns_number_gt 287 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1316P)^2^+0.0234P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.000(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.0(4) _refine_ls_number_reflns 295 _refine_ls_number_parameters 23 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0823 _refine_ls_R_factor_gt 0.0735 _refine_ls_wR_factor_ref 0.1788 _refine_ls_wR_factor_gt 0.1710 _refine_ls_goodness_of_fit_ref 1.198 _refine_ls_restrained_S_all 1.196 _refine_ls_shift/su_max 0.392 _refine_ls_shift/su_mean 0.017 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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Eu1 Eu 0.0000 0.0000 0.0000(3) 0.0223(9) Uani 1 8 d S . . Te1 Te 0.0000 0.0000 0.3661(4) 0.0247(10) Uani 1 8 d S . . Te2 Te 0.5000 0.5000 0.0940(4) 0.0228(10) Uani 1 8 d S . . Te3 Te 0.5000 0.0000 0.7655(2) 0.0243(10) Uani 1 4 d S . . Cu1 Cu 0.5000 0.0000 0.2416(6) 0.041(2) Uani 1 4 d S . . K1 K 0.5000 0.5000 0.5029(18) 0.023(2) Uani 1 8 d S . . 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 Eu1 0.0161(10) 0.0161(10) 0.0345(16) 0.000 0.000 0.000 Te1 0.0196(13) 0.0196(13) 0.035(2) 0.000 0.000 0.000 Te2 0.0181(11) 0.0181(11) 0.0321(19) 0.000 0.000 0.000 Te3 0.0208(13) 0.0209(13) 0.031(2) 0.000 0.000 0.000 Cu1 0.032(3) 0.065(4) 0.027(3) 0.000 0.000 0.000 K1 0.016(3) 0.016(3) 0.036(5) 0.000 0.000 0.000 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Eu1 Te2 3.3141(17) . ? Eu1 Te2 3.3141(17) 1_445 ? Eu1 Te2 3.3141(17) 1_455 ? Eu1 Te2 3.3141(17) 1_545 ? Eu1 Te3 3.467(4) 3_544 ? Eu1 Te3 3.467(4) 1_454 ? Eu1 Te3 3.467(4) 3_554 ? Eu1 Te3 3.467(4) 1_554 ? Eu1 Cu1 3.530(6) 3 ? Eu1 Cu1 3.530(6) . ? Eu1 Cu1 3.530(6) 3_545 ? Eu1 Cu1 3.530(6) 1_455 ? Te1 Cu1 2.631(5) 3_545 ? Te1 Cu1 2.631(5) 1_455 ? Te1 Cu1 2.631(5) 3 ? Te1 Cu1 2.631(5) . ? Te1 K1 3.501(10) 1_445 ? Te1 K1 3.501(9) 1_455 ? Te1 K1 3.501(9) 1_545 ? Te1 K1 3.501(10) . ? Te2 Cu1 2.781(5) 3_655 ? Te2 Cu1 2.781(5) 1_565 ? Te2 Cu1 2.781(5) 3 ? Te2 Cu1 2.781(5) . ? Te2 Eu1 3.3141(17) 1_665 ? Te2 Eu1 3.3141(17) 1_565 ? Te2 Eu1 3.3141(17) 1_655 ? Te3 Te3 3.1371(4) 3_655 ? Te3 Te3 3.1371(4) 3_545 ? Te3 Te3 3.1371(4) 3 ? Te3 Te3 3.1371(4) 3_645 ? Te3 Eu1 3.467(4) 1_656 ? Te3 Eu1 3.467(4) 1_556 ? Te3 K1 3.718(17) . ? Te3 K1 3.718(17) 1_545 ? Cu1 Te1 2.631(5) 1_655 ? Cu1 Te2 2.781(5) 1_545 ? Cu1 Eu1 3.530(6) 1_655 ? Cu1 K1 3.707(17) 1_545 ? Cu1 K1 3.707(17) . ? K1 Te1 3.501(9) 1_665 ? K1 Te1 3.501(9) 1_565 ? K1 Te1 3.501(9) 1_655 ? K1 Cu1 3.707(17) 3 ? K1 Cu1 3.707(17) 3_655 ? K1 Cu1 3.707(17) 1_565 ? K1 Te3 3.718(17) 1_565 ? K1 Te3 3.718(17) 3_655 ? K1 Te3 3.718(17) 3 ? 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 _geom_angle_publ_flag Te2 Eu1 Te2 142.38(17) . 1_445 ? Te2 Eu1 Te2 84.03(5) . 1_455 ? Te2 Eu1 Te2 84.03(5) 1_445 1_455 ? Te2 Eu1 Te2 84.03(5) . 1_545 ? Te2 Eu1 Te2 84.03(5) 1_445 1_545 ? Te2 Eu1 Te2 142.38(17) 1_455 1_545 ? Te2 Eu1 Te3 132.53(8) . 3_544 ? Te2 Eu1 Te3 79.61(7) 1_445 3_544 ? Te2 Eu1 Te3 132.53(8) 1_455 3_544 ? Te2 Eu1 Te3 79.61(7) 1_545 3_544 ? Te2 Eu1 Te3 132.53(8) . 1_454 ? Te2 Eu1 Te3 79.61(7) 1_445 1_454 ? Te2 Eu1 Te3 79.61(7) 1_455 1_454 ? Te2 Eu1 Te3 132.53(8) 1_545 1_454 ? Te3 Eu1 Te3 53.79(6) 3_544 1_454 ? Te2 Eu1 Te3 79.61(7) . 3_554 ? Te2 Eu1 Te3 132.53(8) 1_445 3_554 ? Te2 Eu1 Te3 79.61(7) 1_455 3_554 ? Te2 Eu1 Te3 132.53(8) 1_545 3_554 ? Te3 Eu1 Te3 79.55(10) 3_544 3_554 ? Te3 Eu1 Te3 53.79(6) 1_454 3_554 ? Te2 Eu1 Te3 79.61(7) . 1_554 ? Te2 Eu1 Te3 132.53(8) 1_445 1_554 ? Te2 Eu1 Te3 132.53(8) 1_455 1_554 ? Te2 Eu1 Te3 79.61(7) 1_545 1_554 ? Te3 Eu1 Te3 53.79(6) 3_544 1_554 ? Te3 Eu1 Te3 79.55(10) 1_454 1_554 ? Te3 Eu1 Te3 53.79(6) 3_554 1_554 ? Te2 Eu1 Cu1 47.82(7) . 3 ? Te2 Eu1 Cu1 99.78(10) 1_445 3 ? Te2 Eu1 Cu1 47.82(7) 1_455 3 ? Te2 Eu1 Cu1 99.78(10) 1_545 3 ? Te3 Eu1 Cu1 179.16(10) 3_544 3 ? Te3 Eu1 Cu1 126.72(5) 1_454 3 ? Te3 Eu1 Cu1 101.29(8) 3_554 3 ? Te3 Eu1 Cu1 126.72(5) 1_554 3 ? Te2 Eu1 Cu1 47.82(7) . . ? Te2 Eu1 Cu1 99.78(10) 1_445 . ? Te2 Eu1 Cu1 99.78(10) 1_455 . ? Te2 Eu1 Cu1 47.82(7) 1_545 . ? Te3 Eu1 Cu1 126.72(5) 3_544 . ? Te3 Eu1 Cu1 179.16(10) 1_454 . ? Te3 Eu1 Cu1 126.72(5) 3_554 . ? Te3 Eu1 Cu1 101.29(8) 1_554 . ? Cu1 Eu1 Cu1 52.77(10) 3 . ? Te2 Eu1 Cu1 99.78(10) . 3_545 ? Te2 Eu1 Cu1 47.82(7) 1_445 3_545 ? Te2 Eu1 Cu1 99.78(10) 1_455 3_545 ? Te2 Eu1 Cu1 47.82(7) 1_545 3_545 ? Te3 Eu1 Cu1 101.29(8) 3_544 3_545 ? Te3 Eu1 Cu1 126.72(5) 1_454 3_545 ? Te3 Eu1 Cu1 179.16(10) 3_554 3_545 ? Te3 Eu1 Cu1 126.72(5) 1_554 3_545 ? Cu1 Eu1 Cu1 77.87(16) 3 3_545 ? Cu1 Eu1 Cu1 52.77(10) . 3_545 ? Te2 Eu1 Cu1 99.78(10) . 1_455 ? Te2 Eu1 Cu1 47.82(7) 1_445 1_455 ? Te2 Eu1 Cu1 47.82(7) 1_455 1_455 ? Te2 Eu1 Cu1 99.78(10) 1_545 1_455 ? Te3 Eu1 Cu1 126.72(5) 3_544 1_455 ? Te3 Eu1 Cu1 101.29(8) 1_454 1_455 ? Te3 Eu1 Cu1 126.72(5) 3_554 1_455 ? Te3 Eu1 Cu1 179.16(10) 1_554 1_455 ? Cu1 Eu1 Cu1 52.77(10) 3 1_455 ? Cu1 Eu1 Cu1 77.87(16) . 1_455 ? Cu1 Eu1 Cu1 52.77(10) 3_545 1_455 ? Cu1 Te1 Cu1 73.18(16) 3_545 1_455 ? Cu1 Te1 Cu1 114.9(3) 3_545 3 ? Cu1 Te1 Cu1 73.18(16) 1_455 3 ? Cu1 Te1 Cu1 73.18(16) 3_545 . ? Cu1 Te1 Cu1 114.9(3) 1_455 . ? Cu1 Te1 Cu1 73.18(16) 3 . ? Cu1 Te1 K1 72.8(2) 3_545 1_445 ? Cu1 Te1 K1 72.8(2) 1_455 1_445 ? Cu1 Te1 K1 140.62(11) 3 1_445 ? Cu1 Te1 K1 140.62(11) . 1_445 ? Cu1 Te1 K1 140.62(11) 3_545 1_455 ? Cu1 Te1 K1 72.8(2) 1_455 1_455 ? Cu1 Te1 K1 72.8(2) 3 1_455 ? Cu1 Te1 K1 140.62(11) . 1_455 ? K1 Te1 K1 78.6(3) 1_445 1_455 ? Cu1 Te1 K1 72.8(2) 3_545 1_545 ? Cu1 Te1 K1 140.62(11) 1_455 1_545 ? Cu1 Te1 K1 140.62(11) 3 1_545 ? Cu1 Te1 K1 72.8(2) . 1_545 ? K1 Te1 K1 78.6(3) 1_445 1_545 ? K1 Te1 K1 127.3(6) 1_455 1_545 ? Cu1 Te1 K1 140.62(11) 3_545 . ? Cu1 Te1 K1 140.62(11) 1_455 . ? Cu1 Te1 K1 72.8(2) 3 . ? Cu1 Te1 K1 72.8(2) . . ? K1 Te1 K1 127.3(6) 1_445 . ? K1 Te1 K1 78.6(3) 1_455 . ? K1 Te1 K1 78.6(3) 1_545 . ? Cu1 Te2 Cu1 68.67(15) 3_655 1_565 ? Cu1 Te2 Cu1 105.8(3) 3_655 3 ? Cu1 Te2 Cu1 68.67(15) 1_565 3 ? Cu1 Te2 Cu1 68.67(15) 3_655 . ? Cu1 Te2 Cu1 105.8(3) 1_565 . ? Cu1 Te2 Cu1 68.67(15) 3 . ? Cu1 Te2 Eu1 136.75(7) 3_655 . ? Cu1 Te2 Eu1 136.75(7) 1_565 . ? Cu1 Te2 Eu1 70.16(9) 3 . ? Cu1 Te2 Eu1 70.16(9) . . ? Cu1 Te2 Eu1 70.16(9) 3_655 1_665 ? Cu1 Te2 Eu1 70.16(9) 1_565 1_665 ? Cu1 Te2 Eu1 136.75(7) 3 1_665 ? Cu1 Te2 Eu1 136.75(7) . 1_665 ? Eu1 Te2 Eu1 142.38(17) . 1_665 ? Cu1 Te2 Eu1 136.75(7) 3_655 1_565 ? Cu1 Te2 Eu1 70.16(9) 1_565 1_565 ? Cu1 Te2 Eu1 70.16(9) 3 1_565 ? Cu1 Te2 Eu1 136.75(7) . 1_565 ? Eu1 Te2 Eu1 84.03(5) . 1_565 ? Eu1 Te2 Eu1 84.03(5) 1_665 1_565 ? Cu1 Te2 Eu1 70.16(9) 3_655 1_655 ? Cu1 Te2 Eu1 136.75(7) 1_565 1_655 ? Cu1 Te2 Eu1 136.75(7) 3 1_655 ? Cu1 Te2 Eu1 70.16(9) . 1_655 ? Eu1 Te2 Eu1 84.03(5) . 1_655 ? Eu1 Te2 Eu1 84.03(5) 1_665 1_655 ? Eu1 Te2 Eu1 142.38(17) 1_565 1_655 ? Te3 Te3 Te3 180.0 3_655 3_545 ? Te3 Te3 Te3 90.0 3_655 3 ? Te3 Te3 Te3 90.0 3_545 3 ? Te3 Te3 Te3 90.0 3_655 3_645 ? Te3 Te3 Te3 90.0 3_545 3_645 ? Te3 Te3 Te3 180.0 3 3_645 ? Te3 Te3 Eu1 63.10(3) 3_655 1_656 ? Te3 Te3 Eu1 116.90(3) 3_545 1_656 ? Te3 Te3 Eu1 116.90(3) 3 1_656 ? Te3 Te3 Eu1 63.10(3) 3_645 1_656 ? Te3 Te3 Eu1 116.90(3) 3_655 1_556 ? Te3 Te3 Eu1 63.10(3) 3_545 1_556 ? Te3 Te3 Eu1 63.10(3) 3 1_556 ? Te3 Te3 Eu1 116.90(3) 3_645 1_556 ? Eu1 Te3 Eu1 79.55(10) 1_656 1_556 ? Te3 Te3 K1 65.05(12) 3_655 . ? Te3 Te3 K1 114.95(12) 3_545 . ? Te3 Te3 K1 65.05(12) 3 . ? Te3 Te3 K1 114.95(12) 3_645 . ? Eu1 Te3 K1 128.09(11) 1_656 . ? Eu1 Te3 K1 128.09(11) 1_556 . ? Te3 Te3 K1 114.95(12) 3_655 1_545 ? Te3 Te3 K1 65.05(12) 3_545 1_545 ? Te3 Te3 K1 114.95(12) 3 1_545 ? Te3 Te3 K1 65.05(12) 3_645 1_545 ? Eu1 Te3 K1 128.09(11) 1_656 1_545 ? Eu1 Te3 K1 128.09(11) 1_556 1_545 ? K1 Te3 K1 73.2(4) . 1_545 ? Te1 Cu1 Te1 114.9(3) 1_655 . ? Te1 Cu1 Te2 108.93(6) 1_655 1_545 ? Te1 Cu1 Te2 108.93(6) . 1_545 ? Te1 Cu1 Te2 108.93(6) 1_655 . ? Te1 Cu1 Te2 108.93(6) . . ? Te2 Cu1 Te2 105.8(3) 1_545 . ? Te1 Cu1 Eu1 161.5(2) 1_655 . ? Te1 Cu1 Eu1 83.61(13) . . ? Te2 Cu1 Eu1 62.02(13) 1_545 . ? Te2 Cu1 Eu1 62.02(13) . . ? Te1 Cu1 Eu1 83.61(13) 1_655 1_655 ? Te1 Cu1 Eu1 161.5(2) . 1_655 ? Te2 Cu1 Eu1 62.02(13) 1_545 1_655 ? Te2 Cu1 Eu1 62.02(13) . 1_655 ? Eu1 Cu1 Eu1 77.87(16) . 1_655 ? Te1 Cu1 K1 64.47(16) 1_655 1_545 ? Te1 Cu1 K1 64.47(16) . 1_545 ? Te2 Cu1 K1 90.3(2) 1_545 1_545 ? Te2 Cu1 K1 163.8(3) . 1_545 ? Eu1 Cu1 K1 128.55(11) . 1_545 ? Eu1 Cu1 K1 128.55(11) 1_655 1_545 ? Te1 Cu1 K1 64.47(16) 1_655 . ? Te1 Cu1 K1 64.47(16) . . ? Te2 Cu1 K1 163.8(3) 1_545 . ? Te2 Cu1 K1 90.3(2) . . ? Eu1 Cu1 K1 128.55(11) . . ? Eu1 Cu1 K1 128.55(11) 1_655 . ? K1 Cu1 K1 73.5(4) 1_545 . ? Te1 K1 Te1 127.3(6) . 1_665 ? Te1 K1 Te1 78.6(3) . 1_565 ? Te1 K1 Te1 78.6(3) 1_665 1_565 ? Te1 K1 Te1 78.6(3) . 1_655 ? Te1 K1 Te1 78.6(3) 1_665 1_655 ? Te1 K1 Te1 127.3(6) 1_565 1_655 ? Te1 K1 Cu1 42.70(18) . 3 ? Te1 K1 Cu1 91.3(4) 1_665 3 ? Te1 K1 Cu1 42.70(18) 1_565 3 ? Te1 K1 Cu1 91.3(4) 1_655 3 ? Te1 K1 Cu1 42.70(18) . . ? Te1 K1 Cu1 91.3(4) 1_665 . ? Te1 K1 Cu1 91.3(4) 1_565 . ? Te1 K1 Cu1 42.70(18) 1_655 . ? Cu1 K1 Cu1 50.1(2) 3 . ? Te1 K1 Cu1 91.3(4) . 3_655 ? Te1 K1 Cu1 42.70(18) 1_665 3_655 ? Te1 K1 Cu1 91.3(4) 1_565 3_655 ? Te1 K1 Cu1 42.70(18) 1_655 3_655 ? Cu1 K1 Cu1 73.5(4) 3 3_655 ? Cu1 K1 Cu1 50.1(2) . 3_655 ? Te1 K1 Cu1 91.3(4) . 1_565 ? Te1 K1 Cu1 42.70(18) 1_665 1_565 ? Te1 K1 Cu1 42.70(18) 1_565 1_565 ? Te1 K1 Cu1 91.3(4) 1_655 1_565 ? Cu1 K1 Cu1 50.1(2) 3 1_565 ? Cu1 K1 Cu1 73.5(4) . 1_565 ? Cu1 K1 Cu1 50.1(2) 3_655 1_565 ? Te1 K1 Te3 88.76(15) . . ? Te1 K1 Te3 137.3(3) 1_665 . ? Te1 K1 Te3 137.3(3) 1_565 . ? Te1 K1 Te3 88.76(15) 1_655 . ? Cu1 K1 Te3 130.02(5) 3 . ? Cu1 K1 Te3 106.62(7) . . ? Cu1 K1 Te3 130.02(5) 3_655 . ? Cu1 K1 Te3 179.9(4) 1_565 . ? Te1 K1 Te3 137.2(3) . 1_565 ? Te1 K1 Te3 88.76(15) 1_665 1_565 ? Te1 K1 Te3 88.76(15) 1_565 1_565 ? Te1 K1 Te3 137.3(3) 1_655 1_565 ? Cu1 K1 Te3 130.02(5) 3 1_565 ? Cu1 K1 Te3 179.9(4) . 1_565 ? Cu1 K1 Te3 130.02(5) 3_655 1_565 ? Cu1 K1 Te3 106.62(7) 1_565 1_565 ? Te3 K1 Te3 73.2(4) . 1_565 ? Te1 K1 Te3 137.2(3) . 3_655 ? Te1 K1 Te3 88.76(15) 1_665 3_655 ? Te1 K1 Te3 137.3(3) 1_565 3_655 ? Te1 K1 Te3 88.76(15) 1_655 3_655 ? Cu1 K1 Te3 179.9(4) 3 3_655 ? Cu1 K1 Te3 130.02(5) . 3_655 ? Cu1 K1 Te3 106.62(7) 3_655 3_655 ? Cu1 K1 Te3 130.02(5) 1_565 3_655 ? Te3 K1 Te3 49.9(2) . 3_655 ? Te3 K1 Te3 49.9(2) 1_565 3_655 ? Te1 K1 Te3 88.76(15) . 3 ? Te1 K1 Te3 137.3(3) 1_665 3 ? Te1 K1 Te3 88.76(15) 1_565 3 ? Te1 K1 Te3 137.3(3) 1_655 3 ? Cu1 K1 Te3 106.62(7) 3 3 ? Cu1 K1 Te3 130.02(5) . 3 ? Cu1 K1 Te3 179.9(4) 3_655 3 ? Cu1 K1 Te3 130.02(5) 1_565 3 ? Te3 K1 Te3 49.9(2) . 3 ? Te3 K1 Te3 49.9(2) 1_565 3 ? Te3 K1 Te3 73.2(4) 3_655 3 ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 24.96 _diffrn_measured_fraction_theta_full 0.988 _refine_diff_density_max 3.104 _refine_diff_density_min -3.513 _refine_diff_density_rms 0.706 data_cueute _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'Cu0.66 Eu Te2' _chemical_formula_weight 449.41 _chemical_melting_point ? _chemical_compound_source ? 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' 'Te' 'Te' -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Eu' 'Eu' -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y, z' 'x, -y+1/2, z' '-x+1/2, -y+1/2, z' 'y, x, z' '-y+1/2, x, z' 'y, -x+1/2, z' '-y+1/2, -x+1/2, z' '-x, -y, -z' 'x-1/2, -y, -z' '-x, y-1/2, -z' 'x-1/2, y-1/2, -z' '-y, -x, -z' 'y-1/2, -x, -z' '-y, x-1/2, -z' 'y-1/2, x-1/2, -z' _cell_length_a 4.481(2) _cell_length_b 4.481(2) _cell_length_c 10.260(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 206.02(12) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 7.245 _exptl_crystal_density_method ? _exptl_crystal_F_000 373 _exptl_absorpt_coefficient_mu 32.196 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 1169 _diffrn_reflns_av_R_equivalents 0.1083 _diffrn_reflns_av_sigmaI/netI 0.0445 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 1.98 _diffrn_reflns_theta_max 25.02 _reflns_number_total 141 _reflns_number_observed 117 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 1 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.1144P)^2^+21.2646P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0164(81) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 140 _refine_ls_number_parameters 12 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0973 _refine_ls_R_factor_obs 0.0794 _refine_ls_wR_factor_all 0.2608 _refine_ls_wR_factor_obs 0.2391 _refine_ls_goodness_of_fit_all 1.515 _refine_ls_goodness_of_fit_obs 1.559 _refine_ls_restrained_S_all 1.541 _refine_ls_restrained_S_obs 1.559 _refine_ls_shift/esd_max 0.000 _refine_ls_shift/esd_mean 0.000 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Eu1 Eu -0.2500 -0.2500 0.7403(5) 0.025(2) Uani 1 d S . Te1 Te 0.7500 0.2500 0.0000 0.026(2) Uani 1 d S . Te2 Te 0.2500 0.2500 0.6417(6) 0.021(2) Uani 1 d S . Cu1 Cu -0.2500 0.2500 0.5000 0.030(4) Uani 0.66 d SP . 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 Eu1 0.021(2) 0.021(2) 0.033(4) 0.000 0.000 0.000 Te1 0.030(3) 0.030(3) 0.018(4) 0.000 0.000 0.000 Te2 0.019(2) 0.019(2) 0.026(5) 0.000 0.000 0.000 Cu1 0.036(6) 0.036(6) 0.019(10) 0.000 0.000 0.000 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Eu1 Te2 3.326(3) . ? Eu1 Te2 3.326(3) 1_445 ? Eu1 Te2 3.326(3) 1_455 ? Eu1 Te2 3.326(3) 1_545 ? Eu1 Cu1 3.332(4) 9_456 ? Eu1 Cu1 3.332(4) 1_545 ? Eu1 Cu1 3.332(4) 9_556 ? Eu1 Cu1 3.332(4) . ? Eu1 Te1 3.481(4) 1_456 ? Eu1 Te1 3.481(4) 9_656 ? Eu1 Te1 3.481(4) 1_446 ? Eu1 Te1 3.481(4) 9_556 ? Te1 Te1 3.1685(11) 9_765 ? Te1 Te1 3.1685(11) 9_655 ? Te1 Te1 3.1685(11) 9_665 ? Te1 Te1 3.1685(11) 9_755 ? Te1 Eu1 3.481(4) 1_654 ? Te1 Eu1 3.481(4) 9_656 ? Te1 Eu1 3.481(4) 1_664 ? Te1 Eu1 3.481(4) 9_556 ? Te2 Cu1 2.671(4) 9_556 ? Te2 Cu1 2.671(4) . ? Te2 Cu1 2.671(4) 9_566 ? Te2 Cu1 2.671(4) 1_655 ? Te2 Eu1 3.326(3) 1_665 ? Te2 Eu1 3.326(3) 1_655 ? Te2 Eu1 3.326(3) 1_565 ? Cu1 Te2 2.671(4) 9_556 ? Cu1 Te2 2.671(4) 9_566 ? Cu1 Te2 2.671(4) 1_455 ? Cu1 Eu1 3.332(4) 9_456 ? Cu1 Eu1 3.332(4) 1_565 ? Cu1 Eu1 3.332(4) 9_556 ? 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 _geom_angle_publ_flag Te2 Eu1 Te2 144.6(3) . 1_445 ? Te2 Eu1 Te2 84.69(8) . 1_455 ? Te2 Eu1 Te2 84.69(8) 1_445 1_455 ? Te2 Eu1 Te2 84.69(8) . 1_545 ? Te2 Eu1 Te2 84.69(8) 1_445 1_545 ? Te2 Eu1 Te2 144.6(3) 1_455 1_545 ? Te2 Eu1 Cu1 103.17(15) . 9_456 ? Te2 Eu1 Cu1 47.30(9) 1_445 9_456 ? Te2 Eu1 Cu1 47.30(9) 1_455 9_456 ? Te2 Eu1 Cu1 103.17(15) 1_545 9_456 ? Te2 Eu1 Cu1 103.17(15) . 1_545 ? Te2 Eu1 Cu1 47.30(9) 1_445 1_545 ? Te2 Eu1 Cu1 103.17(15) 1_455 1_545 ? Te2 Eu1 Cu1 47.30(9) 1_545 1_545 ? Cu1 Eu1 Cu1 56.79(8) 9_456 1_545 ? Te2 Eu1 Cu1 47.30(9) . 9_556 ? Te2 Eu1 Cu1 103.17(15) 1_445 9_556 ? Te2 Eu1 Cu1 103.17(15) 1_455 9_556 ? Te2 Eu1 Cu1 47.30(9) 1_545 9_556 ? Cu1 Eu1 Cu1 84.52(13) 9_456 9_556 ? Cu1 Eu1 Cu1 56.79(8) 1_545 9_556 ? Te2 Eu1 Cu1 47.30(9) . . ? Te2 Eu1 Cu1 103.17(15) 1_445 . ? Te2 Eu1 Cu1 47.30(9) 1_455 . ? Te2 Eu1 Cu1 103.17(15) 1_545 . ? Cu1 Eu1 Cu1 56.79(8) 9_456 . ? Cu1 Eu1 Cu1 84.52(13) 1_545 . ? Cu1 Eu1 Cu1 56.79(8) 9_556 . ? Te2 Eu1 Te1 78.42(10) . 1_456 ? Te2 Eu1 Te1 131.79(12) 1_445 1_456 ? Te2 Eu1 Te1 78.42(10) 1_455 1_456 ? Te2 Eu1 Te1 131.79(12) 1_545 1_456 ? Cu1 Eu1 Te1 124.50(2) 9_456 1_456 ? Cu1 Eu1 Te1 177.80(12) 1_545 1_456 ? Cu1 Eu1 Te1 124.50(2) 9_556 1_456 ? Cu1 Eu1 Te1 97.68(3) . 1_456 ? Te2 Eu1 Te1 78.42(10) . 9_656 ? Te2 Eu1 Te1 131.79(12) 1_445 9_656 ? Te2 Eu1 Te1 131.79(12) 1_455 9_656 ? Te2 Eu1 Te1 78.42(10) 1_545 9_656 ? Cu1 Eu1 Te1 177.80(12) 9_456 9_656 ? Cu1 Eu1 Te1 124.50(2) 1_545 9_656 ? Cu1 Eu1 Te1 97.68(3) 9_556 9_656 ? Cu1 Eu1 Te1 124.50(2) . 9_656 ? Te1 Eu1 Te1 54.14(7) 1_456 9_656 ? Te2 Eu1 Te1 131.79(12) . 1_446 ? Te2 Eu1 Te1 78.42(10) 1_445 1_446 ? Te2 Eu1 Te1 131.79(12) 1_455 1_446 ? Te2 Eu1 Te1 78.42(10) 1_545 1_446 ? Cu1 Eu1 Te1 124.50(2) 9_456 1_446 ? Cu1 Eu1 Te1 97.68(3) 1_545 1_446 ? Cu1 Eu1 Te1 124.50(2) 9_556 1_446 ? Cu1 Eu1 Te1 177.80(12) . 1_446 ? Te1 Eu1 Te1 80.12(12) 1_456 1_446 ? Te1 Eu1 Te1 54.14(7) 9_656 1_446 ? Te2 Eu1 Te1 131.79(12) . 9_556 ? Te2 Eu1 Te1 78.42(10) 1_445 9_556 ? Te2 Eu1 Te1 78.42(10) 1_455 9_556 ? Te2 Eu1 Te1 131.79(12) 1_545 9_556 ? Cu1 Eu1 Te1 97.68(3) 9_456 9_556 ? Cu1 Eu1 Te1 124.50(2) 1_545 9_556 ? Cu1 Eu1 Te1 177.80(12) 9_556 9_556 ? Cu1 Eu1 Te1 124.50(2) . 9_556 ? Te1 Eu1 Te1 54.14(7) 1_456 9_556 ? Te1 Eu1 Te1 80.12(12) 9_656 9_556 ? Te1 Eu1 Te1 54.14(7) 1_446 9_556 ? Te1 Te1 Te1 180.0 9_765 9_655 ? Te1 Te1 Te1 90.0 9_765 9_665 ? Te1 Te1 Te1 90.0 9_655 9_665 ? Te1 Te1 Te1 90.0 9_765 9_755 ? Te1 Te1 Te1 90.0 9_655 9_755 ? Te1 Te1 Te1 180.0 9_665 9_755 ? Te1 Te1 Eu1 117.07(4) 9_765 1_654 ? Te1 Te1 Eu1 62.93(4) 9_655 1_654 ? Te1 Te1 Eu1 117.07(4) 9_665 1_654 ? Te1 Te1 Eu1 62.93(4) 9_755 1_654 ? Te1 Te1 Eu1 62.93(4) 9_765 9_656 ? Te1 Te1 Eu1 117.07(4) 9_655 9_656 ? Te1 Te1 Eu1 117.07(4) 9_665 9_656 ? Te1 Te1 Eu1 62.93(4) 9_755 9_656 ? Eu1 Te1 Eu1 125.86(7) 1_654 9_656 ? Te1 Te1 Eu1 62.93(4) 9_765 1_664 ? Te1 Te1 Eu1 117.07(4) 9_655 1_664 ? Te1 Te1 Eu1 62.93(4) 9_665 1_664 ? Te1 Te1 Eu1 117.07(4) 9_755 1_664 ? Eu1 Te1 Eu1 80.12(12) 1_654 1_664 ? Eu1 Te1 Eu1 125.86(7) 9_656 1_664 ? Te1 Te1 Eu1 117.07(4) 9_765 9_556 ? Te1 Te1 Eu1 62.93(4) 9_655 9_556 ? Te1 Te1 Eu1 62.93(4) 9_665 9_556 ? Te1 Te1 Eu1 117.07(4) 9_755 9_556 ? Eu1 Te1 Eu1 125.86(7) 1_654 9_556 ? Eu1 Te1 Eu1 80.12(12) 9_656 9_556 ? Eu1 Te1 Eu1 125.86(7) 1_664 9_556 ? Cu1 Te2 Cu1 72.76(11) 9_556 . ? Cu1 Te2 Cu1 114.0(2) 9_556 9_566 ? Cu1 Te2 Cu1 72.76(11) . 9_566 ? Cu1 Te2 Cu1 72.76(11) 9_556 1_655 ? Cu1 Te2 Cu1 114.0(2) . 1_655 ? Cu1 Te2 Cu1 72.76(11) 9_566 1_655 ? Cu1 Te2 Eu1 66.46(7) 9_556 . ? Cu1 Te2 Eu1 66.46(7) . . ? Cu1 Te2 Eu1 136.94(8) 9_566 . ? Cu1 Te2 Eu1 136.94(8) 1_655 . ? Cu1 Te2 Eu1 136.94(8) 9_556 1_665 ? Cu1 Te2 Eu1 136.94(8) . 1_665 ? Cu1 Te2 Eu1 66.46(7) 9_566 1_665 ? Cu1 Te2 Eu1 66.46(7) 1_655 1_665 ? Eu1 Te2 Eu1 144.6(3) . 1_665 ? Cu1 Te2 Eu1 66.46(7) 9_556 1_655 ? Cu1 Te2 Eu1 136.94(8) . 1_655 ? Cu1 Te2 Eu1 136.94(8) 9_566 1_655 ? Cu1 Te2 Eu1 66.46(7) 1_655 1_655 ? Eu1 Te2 Eu1 84.69(8) . 1_655 ? Eu1 Te2 Eu1 84.69(8) 1_665 1_655 ? Cu1 Te2 Eu1 136.94(8) 9_556 1_565 ? Cu1 Te2 Eu1 66.46(7) . 1_565 ? Cu1 Te2 Eu1 66.46(7) 9_566 1_565 ? Cu1 Te2 Eu1 136.94(8) 1_655 1_565 ? Eu1 Te2 Eu1 84.69(8) . 1_565 ? Eu1 Te2 Eu1 84.69(8) 1_665 1_565 ? Eu1 Te2 Eu1 144.6(3) 1_655 1_565 ? Te2 Cu1 Te2 114.0(2) 9_556 9_566 ? Te2 Cu1 Te2 107.24(11) 9_556 1_455 ? Te2 Cu1 Te2 107.24(11) 9_566 1_455 ? Te2 Cu1 Te2 107.24(11) 9_556 . ? Te2 Cu1 Te2 107.24(11) 9_566 . ? Te2 Cu1 Te2 114.0(2) 1_455 . ? Te2 Cu1 Eu1 80.72(14) 9_556 . ? Te2 Cu1 Eu1 165.24(13) 9_566 . ? Te2 Cu1 Eu1 66.24(9) 1_455 . ? Te2 Cu1 Eu1 66.24(9) . . ? Te2 Cu1 Eu1 66.24(9) 9_556 9_456 ? Te2 Cu1 Eu1 66.24(9) 9_566 9_456 ? Te2 Cu1 Eu1 80.72(14) 1_455 9_456 ? Te2 Cu1 Eu1 165.24(13) . 9_456 ? Eu1 Cu1 Eu1 123.21(8) . 9_456 ? Te2 Cu1 Eu1 165.24(13) 9_556 1_565 ? Te2 Cu1 Eu1 80.72(14) 9_566 1_565 ? Te2 Cu1 Eu1 66.24(9) 1_455 1_565 ? Te2 Cu1 Eu1 66.24(9) . 1_565 ? Eu1 Cu1 Eu1 84.52(13) . 1_565 ? Eu1 Cu1 Eu1 123.22(8) 9_456 1_565 ? Te2 Cu1 Eu1 66.24(9) 9_556 9_556 ? Te2 Cu1 Eu1 66.24(9) 9_566 9_556 ? Te2 Cu1 Eu1 165.24(13) 1_455 9_556 ? Te2 Cu1 Eu1 80.72(14) . 9_556 ? Eu1 Cu1 Eu1 123.21(8) . 9_556 ? Eu1 Cu1 Eu1 84.52(13) 9_456 9_556 ? Eu1 Cu1 Eu1 123.21(8) 1_565 9_556 ? _refine_diff_density_max 2.662 _refine_diff_density_min -4.049 _refine_diff_density_rms 0.906 data_sub _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'Ag2.80 Eu Na0.20 Te4' _chemical_formula_weight 968.99 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Na' 'Na' 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 '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' 'Eu' 'Eu' -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, z' 'x, -y, z' 'y, x, z' '-y, -x, z' '-y, x, z' 'y, -x, z' _cell_length_a 4.4544(6) _cell_length_b 4.4544(6) _cell_length_c 11.106(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 220.37(6) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 7.302 _exptl_crystal_density_method ? _exptl_crystal_F_000 405 _exptl_absorpt_coefficient_mu 26.044 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 1941 _diffrn_reflns_av_R_equivalents 0.1114 _diffrn_reflns_av_sigmaI/netI 0.0484 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.67 _diffrn_reflns_theta_max 27.76 _reflns_number_total 361 _reflns_number_observed 352 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.1385P)^2^+16.0939P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0005(19) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.45(13) _refine_ls_number_reflns 361 _refine_ls_number_parameters 23 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0739 _refine_ls_R_factor_obs 0.0730 _refine_ls_wR_factor_all 0.2035 _refine_ls_wR_factor_obs 0.2005 _refine_ls_goodness_of_fit_all 1.078 _refine_ls_goodness_of_fit_obs 1.076 _refine_ls_restrained_S_all 1.076 _refine_ls_restrained_S_obs 1.075 _refine_ls_shift/esd_max -1.073 _refine_ls_shift/esd_mean 0.047 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Eu1 Eu 0.0000 0.0000 0.0012(6) 0.037(2) Uani 1 d S . Te1 Te 0.0000 0.0000 0.4339(4) 0.0121(13) Uani 1 d S . Te2 Te 0.5000 0.5000 0.1014(5) 0.0102(12) Uani 1 d S . Te3 Te 0.5000 0.0000 0.7729(7) 0.0164(9) Uani 1 d S . Ag1 Ag 0.5000 0.0000 0.2768(8) 0.0186(9) Uani 1 d S . Ag2 Ag 0.5000 0.5000 0.5335(5) 0.006(2) Uani 0.79(3) d SP . Na1 Na 0.5000 0.5000 0.5335(5) 0.006(2) Uani 0.21(3) d SP . 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 Eu1 0.024(2) 0.024(2) 0.064(5) 0.000 0.000 0.000 Te1 0.012(2) 0.012(2) 0.013(3) 0.000 0.000 0.000 Te2 0.0012(11) 0.0012(11) 0.028(3) 0.000 0.000 0.000 Te3 0.014(2) 0.016(2) 0.019(2) 0.000 0.000 0.000 Ag1 0.020(2) 0.020(2) 0.016(2) 0.000 0.000 0.000 Ag2 0.009(2) 0.009(2) 0.000(3) 0.000 0.000 0.000 Na1 0.009(2) 0.009(2) 0.000(3) 0.000 0.000 0.000 _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Eu1 Te2 3.341(3) . ? Eu1 Te2 3.341(3) 1_445 ? Eu1 Te2 3.341(3) 1_455 ? Eu1 Te2 3.341(3) 1_545 ? Eu1 Te3 3.375(9) 5_544 ? Eu1 Te3 3.375(9) 1_454 ? Eu1 Te3 3.375(9) 5_554 ? Eu1 Te3 3.375(9) 1_554 ? Eu1 Ag1 3.785(11) . ? Eu1 Ag1 3.785(11) 5 ? Eu1 Ag1 3.785(11) 5_545 ? Eu1 Ag1 3.785(11) 1_455 ? Te1 Ag1 2.829(8) 5_545 ? Te1 Ag1 2.829(8) 1_455 ? Te1 Ag1 2.829(8) 5 ? Te1 Ag1 2.829(8) . ? Te1 Na1 3.338(2) . ? Te1 Na1 3.338(2) 1_445 ? Te1 Na1 3.338(2) 1_455 ? Te1 Na1 3.338(2) 1_545 ? Te2 Ag1 2.959(8) . ? Te2 Ag1 2.959(8) 5_655 ? Te2 Ag1 2.959(8) 1_565 ? Te2 Ag1 2.959(8) 5 ? Te2 Eu1 3.341(3) 1_665 ? Te2 Eu1 3.341(3) 1_655 ? Te2 Eu1 3.341(3) 1_565 ? Te3 Te3 3.1497(4) 5_655 ? Te3 Te3 3.1497(4) 5_545 ? Te3 Te3 3.1497(4) 5 ? Te3 Te3 3.1497(4) 5_645 ? Te3 Eu1 3.375(9) 1_656 ? Te3 Eu1 3.375(9) 1_556 ? Te3 Na1 3.468(9) 1_545 ? Te3 Na1 3.468(9) . ? Ag1 Te1 2.829(8) 1_655 ? Ag1 Te2 2.959(8) 1_545 ? Ag1 Ag1 3.1497(4) 5_655 ? Ag1 Ag1 3.1497(4) 5_545 ? Ag1 Ag1 3.1497(4) 5 ? Ag1 Ag1 3.1497(4) 5_645 ? Ag1 Na1 3.618(10) . ? Ag1 Na1 3.618(10) 1_545 ? Ag1 Eu1 3.785(11) 1_655 ? Na1 Te1 3.338(2) 1_665 ? Na1 Te1 3.338(2) 1_565 ? Na1 Te1 3.338(2) 1_655 ? Na1 Te3 3.468(9) 5_655 ? Na1 Te3 3.468(9) 1_565 ? Na1 Te3 3.468(9) 5 ? Na1 Ag1 3.618(10) 5 ? Na1 Ag1 3.618(10) 5_655 ? Na1 Ag1 3.618(10) 1_565 ? 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 _geom_angle_publ_flag Te2 Eu1 Te2 141.1(3) . 1_445 ? Te2 Eu1 Te2 83.63(8) . 1_455 ? Te2 Eu1 Te2 83.63(8) 1_445 1_455 ? Te2 Eu1 Te2 83.63(8) . 1_545 ? Te2 Eu1 Te2 83.63(8) 1_445 1_545 ? Te2 Eu1 Te2 141.1(3) 1_455 1_545 ? Te2 Eu1 Te3 133.65(13) . 5_544 ? Te2 Eu1 Te3 79.07(12) 1_445 5_544 ? Te2 Eu1 Te3 133.65(13) 1_455 5_544 ? Te2 Eu1 Te3 79.07(12) 1_545 5_544 ? Te2 Eu1 Te3 133.65(13) . 1_454 ? Te2 Eu1 Te3 79.07(12) 1_445 1_454 ? Te2 Eu1 Te3 79.07(12) 1_455 1_454 ? Te2 Eu1 Te3 133.65(13) 1_545 1_454 ? Te3 Eu1 Te3 55.6(2) 5_544 1_454 ? Te2 Eu1 Te3 79.07(12) . 5_554 ? Te2 Eu1 Te3 133.65(13) 1_445 5_554 ? Te2 Eu1 Te3 79.07(12) 1_455 5_554 ? Te2 Eu1 Te3 133.65(13) 1_545 5_554 ? Te3 Eu1 Te3 82.6(3) 5_544 5_554 ? Te3 Eu1 Te3 55.6(2) 1_454 5_554 ? Te2 Eu1 Te3 79.07(12) . 1_554 ? Te2 Eu1 Te3 133.65(13) 1_445 1_554 ? Te2 Eu1 Te3 133.65(13) 1_455 1_554 ? Te2 Eu1 Te3 79.07(12) 1_545 1_554 ? Te3 Eu1 Te3 55.6(2) 5_544 1_554 ? Te3 Eu1 Te3 82.6(3) 1_454 1_554 ? Te3 Eu1 Te3 55.6(2) 5_554 1_554 ? Te2 Eu1 Ag1 48.57(10) . . ? Te2 Eu1 Ag1 97.1(2) 1_445 . ? Te2 Eu1 Ag1 97.1(2) 1_455 . ? Te2 Eu1 Ag1 48.57(10) 1_545 . ? Te3 Eu1 Ag1 127.41(4) 5_544 . ? Te3 Eu1 Ag1 174.8(2) 1_454 . ? Te3 Eu1 Ag1 127.41(4) 5_554 . ? Te3 Eu1 Ag1 102.67(5) 1_554 . ? Te2 Eu1 Ag1 48.57(10) . 5 ? Te2 Eu1 Ag1 97.1(2) 1_445 5 ? Te2 Eu1 Ag1 48.57(10) 1_455 5 ? Te2 Eu1 Ag1 97.1(2) 1_545 5 ? Te3 Eu1 Ag1 174.8(2) 5_544 5 ? Te3 Eu1 Ag1 127.41(4) 1_454 5 ? Te3 Eu1 Ag1 102.67(5) 5_554 5 ? Te3 Eu1 Ag1 127.41(4) 1_554 5 ? Ag1 Eu1 Ag1 49.17(15) . 5 ? Te2 Eu1 Ag1 97.1(2) . 5_545 ? Te2 Eu1 Ag1 48.57(10) 1_445 5_545 ? Te2 Eu1 Ag1 97.1(2) 1_455 5_545 ? Te2 Eu1 Ag1 48.57(10) 1_545 5_545 ? Te3 Eu1 Ag1 102.67(5) 5_544 5_545 ? Te3 Eu1 Ag1 127.41(4) 1_454 5_545 ? Te3 Eu1 Ag1 174.8(2) 5_554 5_545 ? Te3 Eu1 Ag1 127.41(4) 1_554 5_545 ? Ag1 Eu1 Ag1 49.17(15) . 5_545 ? Ag1 Eu1 Ag1 72.1(2) 5 5_545 ? Te2 Eu1 Ag1 97.1(2) . 1_455 ? Te2 Eu1 Ag1 48.57(10) 1_445 1_455 ? Te2 Eu1 Ag1 48.57(10) 1_455 1_455 ? Te2 Eu1 Ag1 97.1(2) 1_545 1_455 ? Te3 Eu1 Ag1 127.41(4) 5_544 1_455 ? Te3 Eu1 Ag1 102.67(5) 1_454 1_455 ? Te3 Eu1 Ag1 127.41(4) 5_554 1_455 ? Te3 Eu1 Ag1 174.8(2) 1_554 1_455 ? Ag1 Eu1 Ag1 72.1(2) . 1_455 ? Ag1 Eu1 Ag1 49.17(15) 5 1_455 ? Ag1 Eu1 Ag1 49.17(15) 5_545 1_455 ? Ag1 Te1 Ag1 67.7(2) 5_545 1_455 ? Ag1 Te1 Ag1 103.9(4) 5_545 5 ? Ag1 Te1 Ag1 67.7(2) 1_455 5 ? Ag1 Te1 Ag1 67.7(2) 5_545 . ? Ag1 Te1 Ag1 103.9(4) 1_455 . ? Ag1 Te1 Ag1 67.7(2) 5 . ? Ag1 Te1 Na1 136.85(8) 5_545 . ? Ag1 Te1 Na1 136.85(8) 1_455 . ? Ag1 Te1 Na1 71.28(15) 5 . ? Ag1 Te1 Na1 71.28(15) . . ? Ag1 Te1 Na1 71.28(15) 5_545 1_445 ? Ag1 Te1 Na1 71.28(15) 1_455 1_445 ? Ag1 Te1 Na1 136.85(8) 5 1_445 ? Ag1 Te1 Na1 136.85(8) . 1_445 ? Na1 Te1 Na1 141.3(2) . 1_445 ? Ag1 Te1 Na1 136.85(8) 5_545 1_455 ? Ag1 Te1 Na1 71.28(15) 1_455 1_455 ? Ag1 Te1 Na1 71.28(15) 5 1_455 ? Ag1 Te1 Na1 136.85(8) . 1_455 ? Na1 Te1 Na1 83.70(6) . 1_455 ? Na1 Te1 Na1 83.70(6) 1_445 1_455 ? Ag1 Te1 Na1 71.28(15) 5_545 1_545 ? Ag1 Te1 Na1 136.85(8) 1_455 1_545 ? Ag1 Te1 Na1 136.85(8) 5 1_545 ? Ag1 Te1 Na1 71.28(15) . 1_545 ? Na1 Te1 Na1 83.70(6) . 1_545 ? Na1 Te1 Na1 83.70(6) 1_445 1_545 ? Na1 Te1 Na1 141.3(2) 1_455 1_545 ? Ag1 Te2 Ag1 64.3(2) . 5_655 ? Ag1 Te2 Ag1 97.7(4) . 1_565 ? Ag1 Te2 Ag1 64.3(2) 5_655 1_565 ? Ag1 Te2 Ag1 64.3(2) . 5 ? Ag1 Te2 Ag1 97.7(4) 5_655 5 ? Ag1 Te2 Ag1 64.3(2) 1_565 5 ? Ag1 Te2 Eu1 73.58(15) . . ? Ag1 Te2 Eu1 136.15(11) 5_655 . ? Ag1 Te2 Eu1 136.15(11) 1_565 . ? Ag1 Te2 Eu1 73.58(15) 5 . ? Ag1 Te2 Eu1 136.15(11) . 1_665 ? Ag1 Te2 Eu1 73.58(15) 5_655 1_665 ? Ag1 Te2 Eu1 73.58(15) 1_565 1_665 ? Ag1 Te2 Eu1 136.15(11) 5 1_665 ? Eu1 Te2 Eu1 141.1(3) . 1_665 ? Ag1 Te2 Eu1 73.58(15) . 1_655 ? Ag1 Te2 Eu1 73.58(15) 5_655 1_655 ? Ag1 Te2 Eu1 136.15(11) 1_565 1_655 ? Ag1 Te2 Eu1 136.15(11) 5 1_655 ? Eu1 Te2 Eu1 83.63(8) . 1_655 ? Eu1 Te2 Eu1 83.63(8) 1_665 1_655 ? Ag1 Te2 Eu1 136.15(11) . 1_565 ? Ag1 Te2 Eu1 136.15(11) 5_655 1_565 ? Ag1 Te2 Eu1 73.58(15) 1_565 1_565 ? Ag1 Te2 Eu1 73.58(15) 5 1_565 ? Eu1 Te2 Eu1 83.63(8) . 1_565 ? Eu1 Te2 Eu1 83.63(8) 1_665 1_565 ? Eu1 Te2 Eu1 141.1(3) 1_655 1_565 ? Te3 Te3 Te3 180.0(6) 5_655 5_545 ? Te3 Te3 Te3 90.0 5_655 5 ? Te3 Te3 Te3 90.0 5_545 5 ? Te3 Te3 Te3 90.0 5_655 5_645 ? Te3 Te3 Te3 90.0 5_545 5_645 ? Te3 Te3 Te3 180.0(6) 5 5_645 ? Te3 Te3 Eu1 62.19(8) 5_655 1_656 ? Te3 Te3 Eu1 117.81(8) 5_545 1_656 ? Te3 Te3 Eu1 117.81(8) 5 1_656 ? Te3 Te3 Eu1 62.19(8) 5_645 1_656 ? Te3 Te3 Eu1 117.81(8) 5_655 1_556 ? Te3 Te3 Eu1 62.19(8) 5_545 1_556 ? Te3 Te3 Eu1 62.19(8) 5 1_556 ? Te3 Te3 Eu1 117.81(8) 5_645 1_556 ? Eu1 Te3 Eu1 82.6(3) 1_656 1_556 ? Te3 Te3 Na1 117.00(8) 5_655 1_545 ? Te3 Te3 Na1 62.99(8) 5_545 1_545 ? Te3 Te3 Na1 117.00(8) 5 1_545 ? Te3 Te3 Na1 62.99(8) 5_645 1_545 ? Eu1 Te3 Na1 125.17(4) 1_656 1_545 ? Eu1 Te3 Na1 125.17(4) 1_556 1_545 ? Te3 Te3 Na1 62.99(8) 5_655 . ? Te3 Te3 Na1 117.00(8) 5_545 . ? Te3 Te3 Na1 62.99(8) 5 . ? Te3 Te3 Na1 117.00(8) 5_645 . ? Eu1 Te3 Na1 125.17(4) 1_656 . ? Eu1 Te3 Na1 125.17(4) 1_556 . ? Na1 Te3 Na1 79.9(3) 1_545 . ? Te1 Ag1 Te1 103.9(4) . 1_655 ? Te1 Ag1 Te2 113.95(4) . 1_545 ? Te1 Ag1 Te2 113.95(4) 1_655 1_545 ? Te1 Ag1 Te2 113.95(4) . . ? Te1 Ag1 Te2 113.95(4) 1_655 . ? Te2 Ag1 Te2 97.7(4) 1_545 . ? Te1 Ag1 Ag1 123.83(11) . 5_655 ? Te1 Ag1 Ag1 56.17(11) 1_655 5_655 ? Te2 Ag1 Ag1 122.16(10) 1_545 5_655 ? Te2 Ag1 Ag1 57.84(10) . 5_655 ? Te1 Ag1 Ag1 56.17(11) . 5_545 ? Te1 Ag1 Ag1 123.83(11) 1_655 5_545 ? Te2 Ag1 Ag1 57.84(10) 1_545 5_545 ? Te2 Ag1 Ag1 122.16(10) . 5_545 ? Ag1 Ag1 Ag1 180.0(7) 5_655 5_545 ? Te1 Ag1 Ag1 56.17(11) . 5 ? Te1 Ag1 Ag1 123.83(11) 1_655 5 ? Te2 Ag1 Ag1 122.16(10) 1_545 5 ? Te2 Ag1 Ag1 57.84(10) . 5 ? Ag1 Ag1 Ag1 90.0 5_655 5 ? Ag1 Ag1 Ag1 90.0 5_545 5 ? Te1 Ag1 Ag1 123.83(11) . 5_645 ? Te1 Ag1 Ag1 56.17(11) 1_655 5_645 ? Te2 Ag1 Ag1 57.84(10) 1_545 5_645 ? Te2 Ag1 Ag1 122.16(10) . 5_645 ? Ag1 Ag1 Ag1 90.0 5_655 5_645 ? Ag1 Ag1 Ag1 90.0 5_545 5_645 ? Ag1 Ag1 Ag1 180.0(7) 5 5_645 ? Te1 Ag1 Na1 60.9(2) . . ? Te1 Ag1 Na1 60.9(2) 1_655 . ? Te2 Ag1 Na1 169.2(3) 1_545 . ? Te2 Ag1 Na1 93.17(10) . . ? Ag1 Ag1 Na1 64.19(8) 5_655 . ? Ag1 Ag1 Na1 115.81(8) 5_545 . ? Ag1 Ag1 Na1 64.19(8) 5 . ? Ag1 Ag1 Na1 115.81(8) 5_645 . ? Te1 Ag1 Na1 60.9(2) . 1_545 ? Te1 Ag1 Na1 60.9(2) 1_655 1_545 ? Te2 Ag1 Na1 93.17(10) 1_545 1_545 ? Te2 Ag1 Na1 169.2(3) . 1_545 ? Ag1 Ag1 Na1 115.81(8) 5_655 1_545 ? Ag1 Ag1 Na1 64.19(8) 5_545 1_545 ? Ag1 Ag1 Na1 115.81(8) 5 1_545 ? Ag1 Ag1 Na1 64.19(8) 5_645 1_545 ? Na1 Ag1 Na1 76.0(3) . 1_545 ? Te1 Ag1 Eu1 92.02(13) . . ? Te1 Ag1 Eu1 164.1(3) 1_655 . ? Te2 Ag1 Eu1 57.8(2) 1_545 . ? Te2 Ag1 Eu1 57.8(2) . . ? Ag1 Ag1 Eu1 114.59(7) 5_655 . ? Ag1 Ag1 Eu1 65.41(7) 5_545 . ? Ag1 Ag1 Eu1 65.41(7) 5 . ? Ag1 Ag1 Eu1 114.59(7) 5_645 . ? Na1 Ag1 Eu1 129.58(4) . . ? Na1 Ag1 Eu1 129.58(4) 1_545 . ? Te1 Ag1 Eu1 164.1(3) . 1_655 ? Te1 Ag1 Eu1 92.03(13) 1_655 1_655 ? Te2 Ag1 Eu1 57.8(2) 1_545 1_655 ? Te2 Ag1 Eu1 57.8(2) . 1_655 ? Ag1 Ag1 Eu1 65.41(7) 5_655 1_655 ? Ag1 Ag1 Eu1 114.59(7) 5_545 1_655 ? Ag1 Ag1 Eu1 114.59(7) 5 1_655 ? Ag1 Ag1 Eu1 65.41(7) 5_645 1_655 ? Na1 Ag1 Eu1 129.58(4) . 1_655 ? Na1 Ag1 Eu1 129.58(4) 1_545 1_655 ? Eu1 Ag1 Eu1 72.1(2) . 1_655 ? Te1 Na1 Te1 83.70(6) 1_665 1_565 ? Te1 Na1 Te1 83.70(6) 1_665 1_655 ? Te1 Na1 Te1 141.3(2) 1_565 1_655 ? Te1 Na1 Te1 141.3(2) 1_665 . ? Te1 Na1 Te1 83.70(6) 1_565 . ? Te1 Na1 Te1 83.70(6) 1_655 . ? Te1 Na1 Te3 79.96(10) 1_665 5_655 ? Te1 Na1 Te3 133.03(10) 1_565 5_655 ? Te1 Na1 Te3 79.96(11) 1_655 5_655 ? Te1 Na1 Te3 133.04(10) . 5_655 ? Te1 Na1 Te3 79.96(10) 1_665 1_565 ? Te1 Na1 Te3 79.96(11) 1_565 1_565 ? Te1 Na1 Te3 133.03(10) 1_655 1_565 ? Te1 Na1 Te3 133.04(10) . 1_565 ? Te3 Na1 Te3 54.0(2) 5_655 1_565 ? Te1 Na1 Te3 133.03(10) 1_665 5 ? Te1 Na1 Te3 79.96(11) 1_565 5 ? Te1 Na1 Te3 133.03(10) 1_655 5 ? Te1 Na1 Te3 79.96(11) . 5 ? Te3 Na1 Te3 79.9(3) 5_655 5 ? Te3 Na1 Te3 54.0(2) 1_565 5 ? Te1 Na1 Te3 133.03(10) 1_665 . ? Te1 Na1 Te3 133.03(10) 1_565 . ? Te1 Na1 Te3 79.96(11) 1_655 . ? Te1 Na1 Te3 79.96(11) . . ? Te3 Na1 Te3 54.0(2) 5_655 . ? Te3 Na1 Te3 79.9(3) 1_565 . ? Te3 Na1 Te3 54.0(2) 5 . ? Te1 Na1 Ag1 98.60(14) 1_665 5 ? Te1 Na1 Ag1 47.79(8) 1_565 5 ? Te1 Na1 Ag1 98.60(14) 1_655 5 ? Te1 Na1 Ag1 47.79(8) . 5 ? Te3 Na1 Ag1 178.0(2) 5_655 5 ? Te3 Na1 Ag1 127.16(3) 1_565 5 ? Te3 Na1 Ag1 102.05(5) 5 5 ? Te3 Na1 Ag1 127.16(3) . 5 ? Te1 Na1 Ag1 47.79(8) 1_665 5_655 ? Te1 Na1 Ag1 98.60(14) 1_565 5_655 ? Te1 Na1 Ag1 47.79(8) 1_655 5_655 ? Te1 Na1 Ag1 98.60(14) . 5_655 ? Te3 Na1 Ag1 102.05(5) 5_655 5_655 ? Te3 Na1 Ag1 127.16(3) 1_565 5_655 ? Te3 Na1 Ag1 178.0(2) 5 5_655 ? Te3 Na1 Ag1 127.16(3) . 5_655 ? Ag1 Na1 Ag1 76.0(3) 5 5_655 ? Te1 Na1 Ag1 47.79(8) 1_665 1_565 ? Te1 Na1 Ag1 47.79(8) 1_565 1_565 ? Te1 Na1 Ag1 98.60(14) 1_655 1_565 ? Te1 Na1 Ag1 98.60(14) . 1_565 ? Te3 Na1 Ag1 127.16(3) 5_655 1_565 ? Te3 Na1 Ag1 102.05(5) 1_565 1_565 ? Te3 Na1 Ag1 127.16(3) 5 1_565 ? Te3 Na1 Ag1 178.0(2) . 1_565 ? Ag1 Na1 Ag1 51.6(2) 5 1_565 ? Ag1 Na1 Ag1 51.6(2) 5_655 1_565 ? Te1 Na1 Ag1 98.60(14) 1_665 . ? Te1 Na1 Ag1 98.60(14) 1_565 . ? Te1 Na1 Ag1 47.79(8) 1_655 . ? Te1 Na1 Ag1 47.79(8) . . ? Te3 Na1 Ag1 127.16(3) 5_655 . ? Te3 Na1 Ag1 178.0(2) 1_565 . ? Te3 Na1 Ag1 127.16(3) 5 . ? Te3 Na1 Ag1 102.05(5) . . ? Ag1 Na1 Ag1 51.6(2) 5 . ? Ag1 Na1 Ag1 51.6(2) 5_655 . ? Ag1 Na1 Ag1 76.0(3) 1_565 . ? _refine_diff_density_max 4.433 _refine_diff_density_min -2.841 _refine_diff_density_rms 0.950