data_eu3as5s10 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'As4.54 Eu2.86 Na0.66 S10' _chemical_formula_weight 1110.08 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' 0.0499 2.0058 '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' 'Na' 'Na' 0.0362 0.0249 '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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 8.4300(6) _cell_length_b 7.8040(4) _cell_length_c 25.139(2) _cell_angle_alpha 90.00 _cell_angle_beta 100.226(6) _cell_angle_gamma 90.00 _cell_volume 1627.59(19) _cell_formula_units_Z 4 _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 4.530 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1988 _exptl_absorpt_coefficient_mu 21.313 _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 14682 _diffrn_reflns_av_R_equivalents 0.0730 _diffrn_reflns_av_sigmaI/netI 0.0514 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 2.45 _diffrn_reflns_theta_max 29.31 _reflns_number_total 4512 _reflns_number_gt 3894 _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^)+(0.0281P)^2^+58.6594P] 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 none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4512 _refine_ls_number_parameters 171 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0568 _refine_ls_R_factor_gt 0.0449 _refine_ls_wR_factor_ref 0.1056 _refine_ls_wR_factor_gt 0.0981 _refine_ls_goodness_of_fit_ref 1.088 _refine_ls_restrained_S_all 1.088 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_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_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Eu1 Eu 0.08531(8) 0.61677(8) 0.43054(2) 0.00977(12) Uani 0.86 1 d P . . Eu2 Eu 0.52724(6) 0.26764(6) 0.29908(2) 0.00877(11) Uani 1 1 d . . . Eu3 Eu 0.02580(6) 0.26844(6) 0.296053(19) 0.00816(11) Uani 1 1 d . . . As1 As 0.70661(12) 0.33699(13) 0.16171(4) 0.00783(19) Uani 1 1 d . . . As2 As 0.25544(13) 0.31876(13) 0.15110(4) 0.0095(2) Uani 1 1 d . . . As3 As 0.14310(12) 0.65698(13) 0.06226(4) 0.00807(19) Uani 1 1 d . . . As4 As 0.29747(19) 0.15357(17) 0.45170(6) 0.0166(3) Uani 0.84 1 d P . . As5A As 0.4244(3) 0.0353(3) 0.04833(11) 0.0142(5) Uani 0.508(4) 1 d P . . As5B As 0.4182(9) 0.0461(10) 0.0713(3) 0.0142(5) Uani 0.192(4) 1 d P . . S1 S 0.0868(3) 0.6609(3) 0.31695(10) 0.0084(4) Uani 1 1 d . . . S2 S 0.4952(3) 0.1664(3) 0.17858(11) 0.0106(5) Uani 1 1 d . . . S3 S 0.7397(3) 0.4972(3) 0.23640(10) 0.0086(4) Uani 1 1 d . . . S4 S 0.2488(3) 0.4705(3) 0.22500(9) 0.0078(4) Uani 1 1 d . . . S5 S 0.3714(3) 0.5069(3) 0.10102(10) 0.0085(4) Uani 1 1 d . . . S6 S 0.0453(3) 0.0055(3) 0.40368(11) 0.0117(5) Uani 1 1 d . . . S7 S 0.1745(3) 0.6239(3) 0.61990(10) 0.0098(4) Uani 1 1 d . . . S8 S 0.3078(3) 0.3395(3) 0.38526(10) 0.0125(5) Uani 1 1 d . . . S9 S 0.1699(3) 0.1795(3) 0.00423(10) 0.0126(5) Uani 1 1 d . . . S10 S 0.5918(4) 0.2042(4) 0.00849(13) 0.0186(6) Uani 1 1 d . . . Na1 Na 0.3554(13) 0.0653(11) 0.4644(3) 0.0166(3) Uani 0.51 1 d P . . Na2 Na 0.08531(8) 0.61677(8) 0.43054(2) 0.00977(12) Uani 0.14 1 d 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 Eu1 0.0112(2) 0.0113(2) 0.0069(2) 0.0001(2) 0.0018(2) -0.0006(2) Eu2 0.0074(2) 0.0081(2) 0.0108(2) 0.00081(17) 0.00171(18) -0.00029(18) Eu3 0.0073(2) 0.0089(2) 0.0082(2) -0.00181(16) 0.00128(18) 0.00056(18) As1 0.0073(4) 0.0090(4) 0.0072(4) -0.0004(3) 0.0013(4) -0.0004(4) As2 0.0130(5) 0.0082(4) 0.0079(4) -0.0015(3) 0.0032(4) -0.0025(4) As3 0.0072(4) 0.0108(4) 0.0061(4) 0.0007(3) 0.0009(3) -0.0004(4) As4 0.0300(7) 0.0098(6) 0.0134(6) 0.0085(5) 0.0127(6) 0.0128(6) As5A 0.0101(8) 0.0247(10) 0.0084(14) -0.0019(11) 0.0035(10) 0.0005(8) As5B 0.0101(8) 0.0247(10) 0.0084(14) -0.0019(11) 0.0035(10) 0.0005(8) S1 0.0098(10) 0.0077(10) 0.0081(10) 0.0002(8) 0.0028(8) -0.0007(9) S2 0.0073(10) 0.0082(10) 0.0167(12) 0.0003(9) 0.0031(9) 0.0004(9) S3 0.0094(10) 0.0080(10) 0.0082(10) -0.0013(8) 0.0013(9) -0.0005(9) S4 0.0095(10) 0.0072(10) 0.0069(10) -0.0005(8) 0.0019(8) 0.0017(9) S5 0.0070(10) 0.0096(10) 0.0098(10) 0.0010(8) 0.0036(8) 0.0002(9) S6 0.0094(11) 0.0098(11) 0.0160(12) 0.0013(9) 0.0026(9) 0.0025(9) S7 0.0101(10) 0.0092(10) 0.0099(10) 0.0005(8) 0.0010(9) -0.0003(9) S8 0.0127(11) 0.0143(11) 0.0094(10) 0.0041(9) -0.0010(9) -0.0019(10) S9 0.0160(12) 0.0121(11) 0.0095(11) 0.0004(9) 0.0015(9) -0.0044(10) S10 0.0159(12) 0.0171(13) 0.0219(13) 0.0042(11) 0.0006(11) -0.0049(11) Na1 0.0300(7) 0.0098(6) 0.0134(6) 0.0085(5) 0.0127(6) 0.0128(6) Na2 0.0112(2) 0.0113(2) 0.0069(2) 0.0001(2) 0.0018(2) -0.0006(2) _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 S1 2.879(2) . ? Eu1 S10 2.957(3) 2_655 ? Eu1 S9 2.968(3) 2 ? Eu1 S9 2.970(3) 4_566 ? Eu1 S7 2.991(3) 3_566 ? Eu1 S6 3.113(3) 1_565 ? Eu1 S8 3.202(3) . ? Eu1 As1 3.5852(12) 2_655 ? Eu1 As2 3.5854(12) 2 ? Eu1 As3 3.7078(11) 4_576 ? Eu1 Na1 4.180(10) 1_565 ? Eu1 Eu3 4.2976(8) . ? Eu2 S7 3.061(3) 3_666 ? Eu2 S2 3.096(3) . ? Eu2 S3 3.098(3) 2_645 ? Eu2 S4 3.116(3) 2_645 ? Eu2 S8 3.139(3) . ? Eu2 S3 3.147(3) . ? Eu2 S4 3.151(2) . ? Eu2 S2 3.174(3) 2_655 ? Eu2 S5 3.227(3) 2_645 ? Eu2 Eu3 4.2143(7) . ? Eu2 Eu3 4.2171(7) 1_655 ? Eu3 S1 2.953(2) 2_545 ? Eu3 S8 3.016(3) . ? Eu3 S7 3.047(3) 3_566 ? Eu3 S3 3.103(3) 2_645 ? Eu3 S1 3.134(2) . ? Eu3 S3 3.158(3) 1_455 ? Eu3 S4 3.226(3) . ? Eu3 S4 3.257(2) 2_545 ? Eu3 S6 3.376(3) . ? Eu3 Eu2 4.2171(7) 1_455 ? As1 S1 2.208(3) 2_645 ? As1 S3 2.232(3) . ? As1 S2 2.323(3) . ? As1 Eu1 3.5852(12) 2_645 ? As2 S4 2.212(2) . ? As2 S5 2.266(3) . ? As2 S2 2.341(3) . ? As2 Eu1 3.5853(12) 2_545 ? As3 S7 2.227(3) 4_575 ? As3 S6 2.266(3) 2 ? As3 S5 2.315(3) . ? As3 Eu1 3.7078(11) 4_575 ? As4 Na1 0.872(9) . ? As4 S8 2.226(3) . ? As4 S9 2.258(3) 4_566 ? As4 S6 2.530(3) . ? As5A As5B 0.595(7) . ? As5A S10 2.288(4) . ? As5A S10 2.341(4) 3_655 ? As5A S9 2.501(4) . ? As5B S10 2.641(8) . ? As5B S9 2.656(8) . ? S1 As1 2.208(3) 2_655 ? S1 Eu3 2.953(2) 2 ? S2 Eu2 3.174(3) 2_645 ? S3 Eu2 3.098(3) 2_655 ? S3 Eu3 3.103(3) 2_655 ? S3 Eu3 3.158(3) 1_655 ? S4 Eu2 3.116(3) 2_655 ? S4 Eu3 3.257(2) 2 ? S5 Na1 3.092(10) 2_655 ? S5 Eu2 3.227(3) 2_655 ? S6 As3 2.266(3) 2_545 ? S6 Na1 2.822(11) . ? S6 Na2 3.113(3) 1_545 ? S6 Eu1 3.113(3) 1_545 ? S7 As3 2.227(3) 4_576 ? S7 Na2 2.991(3) 3_566 ? S7 Eu1 2.991(3) 3_566 ? S7 Eu3 3.047(3) 3_566 ? S7 Eu2 3.061(3) 3_666 ? S8 Na1 2.901(9) . ? S9 As4 2.258(3) 4_565 ? S9 Na1 2.823(9) 4_565 ? S9 Na2 2.968(3) 2_545 ? S9 Eu1 2.968(3) 2_545 ? S9 Na2 2.970(3) 4_565 ? S9 Eu1 2.970(3) 4_565 ? S10 As5A 2.341(4) 3_655 ? S10 Na1 2.766(11) 4_565 ? S10 Na1 2.915(9) 2_655 ? S10 Na2 2.957(3) 2_645 ? S10 Eu1 2.957(3) 2_645 ? Na1 S10 2.766(11) 4_566 ? Na1 S9 2.823(9) 4_566 ? Na1 S10 2.915(9) 2_645 ? Na1 Na1 2.94(2) 3_656 ? Na1 S5 3.092(10) 2_645 ? Na1 Na2 4.180(10) 1_545 ? Na1 Eu1 4.180(10) 1_545 ? 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 S1 Eu1 S10 108.71(8) . 2_655 ? S1 Eu1 S9 131.27(7) . 2 ? S10 Eu1 S9 111.50(8) 2_655 2 ? S1 Eu1 S9 132.00(7) . 4_566 ? S10 Eu1 S9 76.06(8) 2_655 4_566 ? S9 Eu1 S9 84.34(8) 2 4_566 ? S1 Eu1 S7 77.67(7) . 3_566 ? S10 Eu1 S7 154.43(8) 2_655 3_566 ? S9 Eu1 S7 77.86(7) 2 3_566 ? S9 Eu1 S7 81.51(7) 4_566 3_566 ? S1 Eu1 S6 71.80(7) . 1_565 ? S10 Eu1 S6 86.67(8) 2_655 1_565 ? S9 Eu1 S6 84.13(7) 2 1_565 ? S9 Eu1 S6 154.01(7) 4_566 1_565 ? S7 Eu1 S6 118.49(7) 3_566 1_565 ? S1 Eu1 S8 67.79(7) . . ? S10 Eu1 S8 78.27(8) 2_655 . ? S9 Eu1 S8 146.69(7) 2 . ? S9 Eu1 S8 66.71(7) 4_566 . ? S7 Eu1 S8 81.72(7) 3_566 . ? S6 Eu1 S8 128.98(7) 1_565 . ? S1 Eu1 As1 38.01(5) . 2_655 ? S10 Eu1 As1 73.36(7) 2_655 2_655 ? S9 Eu1 As1 139.83(6) 2 2_655 ? S9 Eu1 As1 133.30(6) 4_566 2_655 ? S7 Eu1 As1 115.61(5) 3_566 2_655 ? S6 Eu1 As1 55.89(5) 1_565 2_655 ? S8 Eu1 As1 73.09(5) . 2_655 ? S1 Eu1 As2 61.56(5) . 2 ? S10 Eu1 As2 139.96(6) 2_655 2 ? S9 Eu1 As2 70.00(5) 2 2 ? S9 Eu1 As2 141.15(6) 4_566 2 ? S7 Eu1 As2 65.26(5) 3_566 2 ? S6 Eu1 As2 53.31(5) 1_565 2 ? S8 Eu1 As2 123.63(5) . 2 ? As1 Eu1 As2 81.56(3) 2_655 2 ? S1 Eu1 As3 143.71(6) . 4_576 ? S10 Eu1 As3 57.60(6) 2_655 4_576 ? S9 Eu1 As3 54.64(5) 2 4_576 ? S9 Eu1 As3 80.49(5) 4_566 4_576 ? S7 Eu1 As3 130.39(5) 3_566 4_576 ? S6 Eu1 As3 73.84(5) 1_565 4_576 ? S8 Eu1 As3 130.31(5) . 4_576 ? As1 Eu1 As3 110.34(3) 2_655 4_576 ? As2 Eu1 As3 105.47(3) 2 4_576 ? S1 Eu1 Na1 90.21(13) . 1_565 ? S10 Eu1 Na1 44.21(14) 2_655 1_565 ? S9 Eu1 Na1 99.88(13) 2 1_565 ? S9 Eu1 Na1 117.59(14) 4_566 1_565 ? S7 Eu1 Na1 160.66(14) 3_566 1_565 ? S6 Eu1 Na1 42.47(14) 1_565 1_565 ? S8 Eu1 Na1 107.80(14) . 1_565 ? As1 Eu1 Na1 54.47(12) 2_655 1_565 ? As2 Eu1 Na1 95.77(13) 2 1_565 ? As3 Eu1 Na1 55.87(12) 4_576 1_565 ? S1 Eu1 Eu3 46.82(5) . . ? S10 Eu1 Eu3 121.46(6) 2_655 . ? S9 Eu1 Eu3 122.96(6) 2 . ? S9 Eu1 Eu3 88.84(5) 4_566 . ? S7 Eu1 Eu3 45.16(5) 3_566 . ? S6 Eu1 Eu3 116.92(5) 1_565 . ? S8 Eu1 Eu3 44.51(5) . . ? As1 Eu1 Eu3 78.26(2) 2_655 . ? As2 Eu1 Eu3 81.84(2) 2 . ? As3 Eu1 Eu3 169.20(2) 4_576 . ? Na1 Eu1 Eu3 132.31(12) 1_565 . ? S7 Eu2 S2 129.81(7) 3_666 . ? S7 Eu2 S3 148.08(7) 3_666 2_645 ? S2 Eu2 S3 67.16(7) . 2_645 ? S7 Eu2 S4 83.14(7) 3_666 2_645 ? S2 Eu2 S4 64.57(6) . 2_645 ? S3 Eu2 S4 82.61(7) 2_645 2_645 ? S7 Eu2 S8 90.37(7) 3_666 . ? S2 Eu2 S8 139.59(7) . . ? S3 Eu2 S8 80.42(7) 2_645 . ? S4 Eu2 S8 135.94(7) 2_645 . ? S7 Eu2 S3 72.69(7) 3_666 . ? S2 Eu2 S3 67.27(6) . . ? S3 Eu2 S3 133.82(3) 2_645 . ? S4 Eu2 S3 84.73(6) 2_645 . ? S8 Eu2 S3 134.53(7) . . ? S7 Eu2 S4 133.78(7) 3_666 . ? S2 Eu2 S4 67.88(6) . . ? S3 Eu2 S4 75.26(6) 2_645 . ? S4 Eu2 S4 132.24(4) 2_645 . ? S8 Eu2 S4 81.36(7) . . ? S3 Eu2 S4 81.27(6) . . ? S7 Eu2 S2 71.27(7) 3_666 2_655 ? S2 Eu2 S2 115.19(6) . 2_655 ? S3 Eu2 S2 130.97(7) 2_645 2_655 ? S4 Eu2 S2 145.20(7) 2_645 2_655 ? S8 Eu2 S2 69.00(7) . 2_655 ? S3 Eu2 S2 65.64(7) . 2_655 ? S4 Eu2 S2 63.28(6) . 2_655 ? S7 Eu2 S5 65.41(6) 3_666 2_645 ? S2 Eu2 S5 124.44(7) . 2_645 ? S3 Eu2 S5 82.70(6) 2_645 2_645 ? S4 Eu2 S5 66.18(6) 2_645 2_645 ? S8 Eu2 S5 71.50(6) . 2_645 ? S3 Eu2 S5 130.77(7) . 2_645 ? S4 Eu2 S5 147.48(7) . 2_645 ? S2 Eu2 S5 119.77(7) 2_655 2_645 ? S7 Eu2 Eu3 135.60(5) 3_666 . ? S2 Eu2 Eu3 94.01(5) . . ? S3 Eu2 Eu3 47.23(5) 2_645 . ? S4 Eu2 Eu3 129.63(5) 2_645 . ? S8 Eu2 Eu3 45.58(5) . . ? S3 Eu2 Eu3 130.41(5) . . ? S4 Eu2 Eu3 49.40(5) . . ? S2 Eu2 Eu3 84.87(5) 2_655 . ? S5 Eu2 Eu3 98.11(5) 2_645 . ? S7 Eu2 Eu3 46.21(5) 3_666 1_655 ? S2 Eu2 Eu3 84.07(5) . 1_655 ? S3 Eu2 Eu3 132.15(5) 2_645 1_655 ? S4 Eu2 Eu3 50.03(5) 2_645 1_655 ? S8 Eu2 Eu3 136.34(5) . 1_655 ? S3 Eu2 Eu3 48.12(5) . 1_655 ? S4 Eu2 Eu3 128.94(5) . 1_655 ? S2 Eu2 Eu3 95.32(5) 2_655 1_655 ? S5 Eu2 Eu3 83.57(5) 2_645 1_655 ? Eu3 Eu2 Eu3 177.954(19) . 1_655 ? S1 Eu3 S8 147.57(7) 2_545 . ? S1 Eu3 S7 128.49(7) 2_545 3_566 ? S8 Eu3 S7 83.94(7) . 3_566 ? S1 Eu3 S3 70.38(7) 2_545 2_645 ? S8 Eu3 S3 82.30(7) . 2_645 ? S7 Eu3 S3 145.86(7) 3_566 2_645 ? S1 Eu3 S1 117.01(6) 2_545 . ? S8 Eu3 S1 67.13(7) . . ? S7 Eu3 S1 73.08(7) 3_566 . ? S3 Eu3 S1 128.12(7) 2_645 . ? S1 Eu3 S3 67.40(7) 2_545 1_455 ? S8 Eu3 S3 133.16(7) . 1_455 ? S7 Eu3 S3 72.72(6) 3_566 1_455 ? S3 Eu3 S3 136.85(3) 2_645 1_455 ? S1 Eu3 S3 67.41(6) . 1_455 ? S1 Eu3 S4 74.08(6) 2_545 . ? S8 Eu3 S4 82.05(7) . . ? S7 Eu3 S4 134.28(7) 3_566 . ? S3 Eu3 S4 74.14(6) 2_645 . ? S1 Eu3 S4 61.35(6) . . ? S3 Eu3 S4 86.08(6) 1_455 . ? S1 Eu3 S4 62.80(6) 2_545 2_545 ? S8 Eu3 S4 134.10(7) . 2_545 ? S7 Eu3 S4 81.04(7) 3_566 2_545 ? S3 Eu3 S4 86.45(6) 2_645 2_545 ? S1 Eu3 S4 144.63(6) . 2_545 ? S3 Eu3 S4 82.27(6) 1_455 2_545 ? S4 Eu3 S4 136.58(4) . 2_545 ? S1 Eu3 S6 124.04(7) 2_545 . ? S8 Eu3 S6 66.19(7) . . ? S7 Eu3 S6 64.28(6) 3_566 . ? S3 Eu3 S6 81.58(6) 2_645 . ? S1 Eu3 S6 118.45(6) . . ? S3 Eu3 S6 130.44(7) 1_455 . ? S4 Eu3 S6 142.25(6) . . ? S4 Eu3 S6 68.19(6) 2_545 . ? S1 Eu3 Eu2 99.62(5) 2_545 . ? S8 Eu3 Eu2 48.01(5) . . ? S7 Eu3 Eu2 131.70(5) 3_566 . ? S3 Eu3 Eu2 47.14(5) 2_645 . ? S1 Eu3 Eu2 82.19(5) . . ? S3 Eu3 Eu2 133.52(5) 1_455 . ? S4 Eu3 Eu2 47.88(4) . . ? S4 Eu3 Eu2 133.12(5) 2_545 . ? S6 Eu3 Eu2 94.51(5) . . ? S1 Eu3 Eu2 82.28(5) 2_545 1_455 ? S8 Eu3 Eu2 130.05(6) . 1_455 ? S7 Eu3 Eu2 46.48(5) 3_566 1_455 ? S3 Eu3 Eu2 133.42(5) 2_645 1_455 ? S1 Eu3 Eu2 97.64(5) . 1_455 ? S3 Eu3 Eu2 47.91(5) 1_455 1_455 ? S4 Eu3 Eu2 133.75(5) . 1_455 ? S4 Eu3 Eu2 47.15(4) 2_545 1_455 ? S6 Eu3 Eu2 83.77(5) . 1_455 ? Eu2 Eu3 Eu2 177.954(19) . 1_455 ? S1 Eu3 Eu1 155.42(5) 2_545 . ? S8 Eu3 Eu1 48.10(5) . . ? S7 Eu3 Eu1 44.09(5) 3_566 . ? S3 Eu3 Eu1 130.35(5) 2_645 . ? S1 Eu3 Eu1 42.04(4) . . ? S3 Eu3 Eu1 89.35(5) 1_455 . ? S4 Eu3 Eu1 97.37(4) . . ? S4 Eu3 Eu1 124.03(5) 2_545 . ? S6 Eu3 Eu1 76.80(5) . . ? Eu2 Eu3 Eu1 90.579(15) . . ? Eu2 Eu3 Eu1 87.950(15) 1_455 . ? S1 As1 S3 99.73(10) 2_645 . ? S1 As1 S2 101.33(9) 2_645 . ? S3 As1 S2 98.79(10) . . ? S1 As1 Eu1 53.39(7) 2_645 2_645 ? S3 As1 Eu1 144.13(8) . 2_645 ? S2 As1 Eu1 108.83(7) . 2_645 ? S4 As2 S5 101.38(10) . . ? S4 As2 S2 99.97(10) . . ? S5 As2 S2 93.31(10) . . ? S4 As2 Eu1 125.39(8) . 2_545 ? S5 As2 Eu1 110.35(7) . 2_545 ? S2 As2 Eu1 120.52(7) . 2_545 ? S7 As3 S6 99.50(10) 4_575 2 ? S7 As3 S5 96.95(10) 4_575 . ? S6 As3 S5 99.38(10) 2 . ? S7 As3 Eu1 101.36(7) 4_575 4_575 ? S6 As3 Eu1 126.59(8) 2 4_575 ? S5 As3 Eu1 125.76(7) . 4_575 ? Na1 As4 S8 134.1(6) . . ? Na1 As4 S9 122.4(6) . 4_566 ? S8 As4 S9 98.57(11) . 4_566 ? Na1 As4 S6 100.5(7) . . ? S8 As4 S6 94.66(10) . . ? S9 As4 S6 95.48(11) 4_566 . ? As5B As5A S10 120.7(8) . . ? As5B As5A S10 134.4(8) . 3_655 ? S10 As5A S10 99.59(14) . 3_655 ? As5B As5A S9 98.6(8) . . ? S10 As5A S9 95.39(13) . . ? S10 As5A S9 97.82(13) 3_655 . ? As5A As5B S10 48.2(7) . . ? As5A As5B S9 68.6(7) . . ? S10 As5B S9 84.0(2) . . ? As1 S1 Eu1 88.60(8) 2_655 . ? As1 S1 Eu3 99.31(9) 2_655 2 ? Eu1 S1 Eu3 158.61(10) . 2 ? As1 S1 Eu3 138.39(11) 2_655 . ? Eu1 S1 Eu3 91.14(7) . . ? Eu3 S1 Eu3 95.82(7) 2 . ? As1 S2 As2 107.78(11) . . ? As1 S2 Eu2 95.51(9) . . ? As2 S2 Eu2 94.58(9) . . ? As1 S2 Eu2 131.76(10) . 2_645 ? As2 S2 Eu2 118.33(9) . 2_645 ? Eu2 S2 Eu2 94.28(7) . 2_645 ? As1 S3 Eu2 99.42(9) . 2_655 ? As1 S3 Eu3 98.71(9) . 2_655 ? Eu2 S3 Eu3 85.63(6) 2_655 2_655 ? As1 S3 Eu2 96.03(9) . . ? Eu2 S3 Eu2 94.77(7) 2_655 . ? Eu3 S3 Eu2 165.00(9) 2_655 . ? As1 S3 Eu3 93.07(8) . 1_655 ? Eu2 S3 Eu3 167.52(9) 2_655 1_655 ? Eu3 S3 Eu3 92.41(7) 2_655 1_655 ? Eu2 S3 Eu3 83.96(6) . 1_655 ? As2 S4 Eu2 97.40(9) . 2_655 ? As2 S4 Eu2 95.75(8) . . ? Eu2 S4 Eu2 94.32(7) 2_655 . ? As2 S4 Eu3 107.89(9) . . ? Eu2 S4 Eu3 154.69(8) 2_655 . ? Eu2 S4 Eu3 82.72(6) . . ? As2 S4 Eu3 111.64(9) . 2 ? Eu2 S4 Eu3 82.82(6) 2_655 2 ? Eu2 S4 Eu3 152.60(8) . 2 ? Eu3 S4 Eu3 88.37(6) . 2 ? As2 S5 As3 98.82(10) . . ? As2 S5 Na1 145.8(2) . 2_655 ? As3 S5 Na1 110.1(2) . 2_655 ? As2 S5 Eu2 93.27(8) . 2_655 ? As3 S5 Eu2 95.39(8) . 2_655 ? Na1 S5 Eu2 101.63(17) 2_655 2_655 ? As3 S6 As4 99.64(11) 2_545 . ? As3 S6 Na1 110.7(2) 2_545 . ? As4 S6 Na1 17.68(17) . . ? As3 S6 Na2 118.85(10) 2_545 1_545 ? As4 S6 Na2 106.98(9) . 1_545 ? Na1 S6 Na2 89.40(19) . 1_545 ? As3 S6 Eu1 118.85(10) 2_545 1_545 ? As4 S6 Eu1 106.98(9) . 1_545 ? Na1 S6 Eu1 89.40(19) . 1_545 ? Na2 S6 Eu1 0.00(2) 1_545 1_545 ? As3 S6 Eu3 92.76(8) 2_545 . ? As4 S6 Eu3 91.26(8) . . ? Na1 S6 Eu3 103.97(19) . . ? Na2 S6 Eu3 138.94(9) 1_545 . ? Eu1 S6 Eu3 138.94(9) 1_545 . ? As3 S7 Na2 102.30(9) 4_576 3_566 ? As3 S7 Eu1 102.30(9) 4_576 3_566 ? Na2 S7 Eu1 0.00(3) 3_566 3_566 ? As3 S7 Eu3 102.89(9) 4_576 3_566 ? Na2 S7 Eu3 90.75(7) 3_566 3_566 ? Eu1 S7 Eu3 90.75(7) 3_566 3_566 ? As3 S7 Eu2 102.07(9) 4_576 3_666 ? Na2 S7 Eu2 155.36(9) 3_566 3_666 ? Eu1 S7 Eu2 155.36(9) 3_566 3_666 ? Eu3 S7 Eu2 87.32(6) 3_566 3_666 ? As4 S8 Na1 12.46(19) . . ? As4 S8 Eu3 107.89(11) . . ? Na1 S8 Eu3 111.7(2) . . ? As4 S8 Eu2 120.52(11) . . ? Na1 S8 Eu2 108.3(2) . . ? Eu3 S8 Eu2 86.40(7) . . ? As4 S8 Eu1 94.02(10) . . ? Na1 S8 Eu1 105.84(19) . . ? Eu3 S8 Eu1 87.38(7) . . ? Eu2 S8 Eu1 145.12(9) . . ? As4 S9 As5A 93.38(12) 4_565 . ? As4 S9 As5B 101.2(2) 4_565 . ? As5A S9 As5B 12.79(15) . . ? As4 S9 Na1 15.11(17) 4_565 4_565 ? As5A S9 Na1 89.4(2) . 4_565 ? As5B S9 Na1 94.5(3) . 4_565 ? As4 S9 Na2 152.27(13) 4_565 2_545 ? As5A S9 Na2 109.26(11) . 2_545 ? As5B S9 Na2 98.72(19) . 2_545 ? Na1 S9 Na2 144.5(2) 4_565 2_545 ? As4 S9 Eu1 152.27(13) 4_565 2_545 ? As5A S9 Eu1 109.26(11) . 2_545 ? As5B S9 Eu1 98.72(19) . 2_545 ? Na1 S9 Eu1 144.5(2) 4_565 2_545 ? Na2 S9 Eu1 0.00(3) 2_545 2_545 ? As4 S9 Na2 99.84(10) 4_565 4_565 ? As5A S9 Na2 91.05(10) . 4_565 ? As5B S9 Na2 99.54(19) . 4_565 ? Na1 S9 Na2 114.51(19) 4_565 4_565 ? Na2 S9 Na2 95.66(8) 2_545 4_565 ? Eu1 S9 Na2 95.66(8) 2_545 4_565 ? As4 S9 Eu1 99.84(10) 4_565 4_565 ? As5A S9 Eu1 91.05(10) . 4_565 ? As5B S9 Eu1 99.54(19) . 4_565 ? Na1 S9 Eu1 114.51(19) 4_565 4_565 ? Na2 S9 Eu1 95.66(8) 2_545 4_565 ? Eu1 S9 Eu1 95.66(8) 2_545 4_565 ? Na2 S9 Eu1 0.00(2) 4_565 4_565 ? As5A S10 As5A 80.41(14) . 3_655 ? As5A S10 As5B 11.17(16) . . ? As5A S10 As5B 90.8(2) 3_655 . ? As5A S10 Na1 95.4(2) . 4_565 ? As5A S10 Na1 108.3(2) 3_655 4_565 ? As5B S10 Na1 96.1(3) . 4_565 ? As5A S10 Na1 122.3(2) . 2_655 ? As5A S10 Na1 154.7(2) 3_655 2_655 ? As5B S10 Na1 112.9(3) . 2_655 ? Na1 S10 Na1 62.2(3) 4_565 2_655 ? As5A S10 Na2 102.87(12) . 2_645 ? As5A S10 Na2 94.64(12) 3_655 2_645 ? As5B S10 Na2 98.00(18) . 2_645 ? Na1 S10 Na2 152.8(2) 4_565 2_645 ? Na1 S10 Na2 90.8(2) 2_655 2_645 ? As5A S10 Eu1 102.87(12) . 2_645 ? As5A S10 Eu1 94.64(12) 3_655 2_645 ? As5B S10 Eu1 98.00(18) . 2_645 ? Na1 S10 Eu1 152.8(2) 4_565 2_645 ? Na1 S10 Eu1 90.8(2) 2_655 2_645 ? Na2 S10 Eu1 0.00(3) 2_645 2_645 ? As4 Na1 S10 87.1(7) . 4_566 ? As4 Na1 S6 61.8(6) . . ? S10 Na1 S6 148.9(4) 4_566 . ? As4 Na1 S9 42.5(5) . 4_566 ? S10 Na1 S9 78.7(2) 4_566 4_566 ? S6 Na1 S9 77.9(3) . 4_566 ? As4 Na1 S8 33.4(4) . . ? S10 Na1 S8 78.3(2) 4_566 . ? S6 Na1 S8 75.5(2) . . ? S9 Na1 S8 72.8(2) 4_566 . ? As4 Na1 S10 154.4(9) . 2_645 ? S10 Na1 S10 117.8(3) 4_566 2_645 ? S6 Na1 S10 93.1(3) . 2_645 ? S9 Na1 S10 132.1(3) 4_566 2_645 ? S8 Na1 S10 150.5(3) . 2_645 ? As4 Na1 Na1 147.9(10) . 3_656 ? S10 Na1 Na1 61.4(4) 4_566 3_656 ? S6 Na1 Na1 149.4(5) . 3_656 ? S9 Na1 Na1 118.7(5) 4_566 3_656 ? S8 Na1 Na1 132.3(5) . 3_656 ? S10 Na1 Na1 56.4(3) 2_645 3_656 ? As4 Na1 S5 110.1(6) . 2_645 ? S10 Na1 S5 76.0(3) 4_566 2_645 ? S6 Na1 S5 113.2(3) . 2_645 ? S9 Na1 S5 143.6(3) 4_566 2_645 ? S8 Na1 S5 76.7(2) . 2_645 ? S10 Na1 S5 83.4(2) 2_645 2_645 ? Na1 Na1 S5 70.0(4) 3_656 2_645 ? As4 Na1 Na2 109.7(8) . 1_545 ? S10 Na1 Na2 162.5(3) 4_566 1_545 ? S6 Na1 Na2 48.14(16) . 1_545 ? S9 Na1 Na2 110.3(3) 4_566 1_545 ? S8 Na1 Na2 118.3(3) . 1_545 ? S10 Na1 Na2 45.01(15) 2_645 1_545 ? Na1 Na1 Na2 101.3(4) 3_656 1_545 ? S5 Na1 Na2 101.4(2) 2_645 1_545 ? As4 Na1 Eu1 109.7(8) . 1_545 ? S10 Na1 Eu1 162.5(3) 4_566 1_545 ? S6 Na1 Eu1 48.14(16) . 1_545 ? S9 Na1 Eu1 110.3(3) 4_566 1_545 ? S8 Na1 Eu1 118.3(3) . 1_545 ? S10 Na1 Eu1 45.01(15) 2_645 1_545 ? Na1 Na1 Eu1 101.3(4) 3_656 1_545 ? S5 Na1 Eu1 101.4(2) 2_645 1_545 ? Na2 Na1 Eu1 0.000(17) 1_545 1_545 ? _diffrn_measured_fraction_theta_max 0.976 _diffrn_reflns_theta_full 29.31 _diffrn_measured_fraction_theta_full 0.976 _refine_diff_density_max 5.041 _refine_diff_density_min -2.917 _refine_diff_density_rms 0.430