 
data_Y3Au7Sn3 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Au7 Sn3 Y3' 
_chemical_formula_weight          2001.57 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Y'  'Y'  -2.7962   3.5667 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Sn'  'Sn'  -0.6537   1.4246 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Au'  'Au'  -2.0133   8.8022 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'hexagonal' 
_symmetry_space_group_name_H-M    'P63/m' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 '-x, -y, z+1/2' 
 'y, -x+y, z+1/2' 
 'x-y, x, z+1/2' 
 '-x, -y, -z' 
 'y, -x+y, -z' 
 'x-y, x, -z' 
 'x, y, -z-1/2' 
 '-y, x-y, -z-1/2' 
 '-x+y, -x, -z-1/2' 
 
_cell_length_a                    8.1480(12) 
_cell_length_b                    8.1480(12) 
_cell_length_c                    9.3940(19) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      540.11(16) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     3357 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        'irregular fragment'
_exptl_crystal_colour             'colorless' 
_exptl_crystal_size_max           0.08 
_exptl_crystal_size_mid           0.07 
_exptl_crystal_size_min           0.06 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     12.307 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1640 
_exptl_absorpt_coefficient_mu     117.283 
_exptl_absorpt_correction_type    'empirical' 
_exptl_absorpt_correction_T_min   0.18 
_exptl_absorpt_correction_T_max   0.25 
_exptl_absorpt_process_details    'Blessing, R. H. (1995). Acta Cryst. A51, 3338.' 
 
_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   'Bruker CCD'
_diffrn_measurement_method        'w-scan' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             3357 
_diffrn_reflns_av_R_equivalents   0.0607 
_diffrn_reflns_av_sigmaI/netI     0.0373 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -10 
_diffrn_reflns_limit_k_max        10 
_diffrn_reflns_limit_l_min        -12 
_diffrn_reflns_limit_l_max        6 
_diffrn_reflns_theta_min          2.17 
_diffrn_reflns_theta_max          27.49 
_reflns_number_total              439 
_reflns_number_gt                 346 
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0227P)²+4.7152P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00032(5) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          439 
_refine_ls_number_parameters      25 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0455 
_refine_ls_R_factor_gt            0.0295 
_refine_ls_wR_factor_ref          0.0645 
_refine_ls_wR_factor_gt           0.0597 
_refine_ls_goodness_of_fit_ref    1.049 
_refine_ls_restrained_S_all       1.049 
_refine_ls_shift/su_max           0.000 
_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 
Au1 Au 0.34814(11) 0.32994(12) 0.09548(7) 0.0112(2) Uani 1 1 d . . . 
Au2 Au 0.6667 0.3333 0.2500 0.0099(4) Uani 1 6 d S . . 
Y3 Y 0.6703(4) 0.6938(4) 0.2500 0.0117(5) Uani 1 2 d S . . 
Sn5 Sn 0.3333 0.6667 0.0432(2) 0.0066(5) Uani 1 3 d S . . 
Sn6 Sn 0.0000 0.0000 0.0000 0.0191(8) Uani 1 6 d S . . 
 
 
_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 
Au1 Sn5 2.8485(9) . ? 
Au1 Sn5 2.8918(12) 7_665 ? 
Au1 Au1 2.9032(15) 10_556 ? 
Au1 Sn6 2.9073(9) . ? 
Au1 Au2 2.9617(7) . ? 
Au1 Y3 3.016(2) 3_565 ? 
Au1 Y3 3.088(2) 2_655 ? 
Au1 Y3 3.163(2) . ? 
Au1 Au1 3.1881(17) 7_665 ? 
Au1 Y3 3.2502(10) 7_665 ? 
Au1 Au1 3.2963(11) 8 ? 
Au2 Sn5 2.755(2) 4_665 ? 
Au2 Sn5 2.755(2) 7_665 ? 
Au2 Y3 2.923(3) 3_665 ? 
Au2 Y3 2.923(3) 2_655 ? 
Au2 Y3 2.923(3) . ? 
Au2 Au1 2.9617(7) 2_655 ? 
Au2 Au1 2.9617(7) 11_656 ? 
Au2 Au1 2.9617(7) 12_666 ? 
Au2 Au1 2.9617(7) 3_665 ? 
Au2 Au1 2.9617(7) 10_556 ? 
Y3 Au1 3.016(2) 11_666 ? 
Y3 Au1 3.016(2) 2_665 ? 
Y3 Au1 3.088(2) 12_666 ? 
Y3 Au1 3.088(2) 3_665 ? 
Y3 Au1 3.163(2) 10_556 ? 
Y3 Au1 3.2502(10) 7_665 ? 
Y3 Au1 3.2502(10) 4_665 ? 
Y3 Sn5 3.279(2) . ? 
Y3 Sn5 3.279(2) 10_556 ? 
Sn5 Au2 2.755(2) 7_665 ? 
Sn5 Au1 2.8485(9) 3_565 ? 
Sn5 Au1 2.8485(9) 2_665 ? 
Sn5 Au1 2.8918(12) 9 ? 
Sn5 Au1 2.8918(12) 8_565 ? 
Sn5 Au1 2.8918(12) 7_665 ? 
Sn5 Y3 3.279(2) 2_665 ? 
Sn5 Y3 3.279(2) 3_565 ? 
Sn6 Au1 2.9073(9) 7 ? 
Sn6 Au1 2.9073(9) 8 ? 
Sn6 Au1 2.9073(9) 9 ? 
Sn6 Au1 2.9073(9) 3 ? 
Sn6 Au1 2.9073(9) 2 ? 
Sn6 Y3 3.5006(19) 9_545 ? 
Sn6 Y3 3.5006(19) 3_565 ? 
Sn6 Y3 3.5006(19) 2_655 ? 
Sn6 Y3 3.5006(19) 8_455 ? 
 
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 
Sn5 Au1 Sn5 112.53(3) . 7_665 ? 
Sn5 Au1 Au1 99.92(4) . 10_556 ? 
Sn5 Au1 Au1 116.78(4) 7_665 10_556 ? 
Sn5 Au1 Sn6 110.23(3) . . ? 
Sn5 Au1 Sn6 109.02(3) 7_665 . ? 
Au1 Au1 Sn6 107.969(14) 10_556 . ? 
Sn5 Au1 Au2 122.30(3) . . ? 
Sn5 Au1 Au2 56.13(4) 7_665 . ? 
Au1 Au1 Au2 60.652(14) 10_556 . ? 
Sn6 Au1 Au2 127.24(3) . . ? 
Sn5 Au1 Y3 67.92(5) . 3_565 ? 
Sn5 Au1 Y3 177.97(5) 7_665 3_565 ? 
Au1 Au1 Y3 61.23(3) 10_556 3_565 ? 
Sn6 Au1 Y3 72.43(5) . 3_565 ? 
Au2 Au1 Y3 121.88(3) . 3_565 ? 
Sn5 Au1 Y3 160.24(5) . 2_655 ? 
Sn5 Au1 Y3 84.32(5) 7_665 2_655 ? 
Au1 Au1 Y3 61.96(3) 10_556 2_655 ? 
Sn6 Au1 Y3 71.38(5) . 2_655 ? 
Au2 Au1 Y3 57.73(5) . 2_655 ? 
Y3 Au1 Y3 94.88(9) 3_565 2_655 ? 
Sn5 Au1 Y3 65.87(5) . . ? 
Sn5 Au1 Y3 82.97(5) 7_665 . ? 
Au1 Au1 Y3 62.68(3) 10_556 . ? 
Sn6 Au1 Y3 167.70(4) . . ? 
Au2 Au1 Y3 56.89(5) . . ? 
Y3 Au1 Y3 95.52(8) 3_565 . ? 
Y3 Au1 Y3 108.15(7) 2_655 . ? 
Sn5 Au1 Au1 56.91(3) . 7_665 ? 
Sn5 Au1 Au1 55.62(2) 7_665 7_665 ? 
Au1 Au1 Au1 124.24(3) 10_556 7_665 ? 
Sn6 Au1 Au1 127.20(4) . 7_665 ? 
Au2 Au1 Au1 88.39(3) . 7_665 ? 
Y3 Au1 Au1 124.79(6) 3_565 7_665 ? 
Y3 Au1 Au1 138.69(5) 2_655 7_665 ? 
Y3 Au1 Au1 61.56(4) . 7_665 ? 
Sn5 Au1 Y3 82.09(6) . 7_665 ? 
Sn5 Au1 Y3 64.22(6) 7_665 7_665 ? 
Au1 Au1 Y3 176.90(5) 10_556 7_665 ? 
Sn6 Au1 Y3 69.04(5) . 7_665 ? 
Au2 Au1 Y3 120.27(5) . 7_665 ? 
Y3 Au1 Y3 117.79(6) 3_565 7_665 ? 
Y3 Au1 Y3 115.69(6) 2_655 7_665 ? 
Y3 Au1 Y3 120.40(3) . 7_665 ? 
Au1 Au1 Y3 58.84(5) 7_665 7_665 ? 
Sn5 Au1 Au1 136.87(5) . 8 ? 
Sn5 Au1 Au1 54.34(3) 7_665 8 ? 
Au1 Au1 Au1 122.97(2) 10_556 8 ? 
Sn6 Au1 Au1 55.465(7) . 8 ? 
Au2 Au1 Au1 86.38(2) . 8 ? 
Y3 Au1 Au1 126.82(5) 3_565 8 ? 
Y3 Au1 Au1 61.10(3) 2_655 8 ? 
Y3 Au1 Au1 135.69(5) . 8 ? 
Au1 Au1 Au1 97.08(4) 7_665 8 ? 
Y3 Au1 Au1 54.86(5) 7_665 8 ? 
Sn5 Au2 Sn5 180.0 4_665 7_665 ? 
Sn5 Au2 Y3 90.0 4_665 3_665 ? 
Sn5 Au2 Y3 90.0 7_665 3_665 ? 
Sn5 Au2 Y3 90.0 4_665 2_655 ? 
Sn5 Au2 Y3 90.0 7_665 2_655 ? 
Y3 Au2 Y3 120.0 3_665 2_655 ? 
Sn5 Au2 Y3 90.0 4_665 . ? 
Sn5 Au2 Y3 90.0 7_665 . ? 
Y3 Au2 Y3 120.0 3_665 . ? 
Y3 Au2 Y3 120.0 2_655 . ? 
Sn5 Au2 Au1 119.348(14) 4_665 2_655 ? 
Sn5 Au2 Au1 60.652(14) 7_665 2_655 ? 
Y3 Au2 Au1 63.30(5) 3_665 2_655 ? 
Y3 Au2 Au1 65.03(5) 2_655 2_655 ? 
Y3 Au2 Au1 150.635(15) . 2_655 ? 
Sn5 Au2 Au1 60.652(14) 4_665 11_656 ? 
Sn5 Au2 Au1 119.348(14) 7_665 11_656 ? 
Y3 Au2 Au1 63.30(5) 3_665 11_656 ? 
Y3 Au2 Au1 65.03(5) 2_655 11_656 ? 
Y3 Au2 Au1 150.635(15) . 11_656 ? 
Au1 Au2 Au1 58.70(3) 2_655 11_656 ? 
Sn5 Au2 Au1 60.652(14) 4_665 12_666 ? 
Sn5 Au2 Au1 119.348(15) 7_665 12_666 ? 
Y3 Au2 Au1 65.03(5) 3_665 12_666 ? 
Y3 Au2 Au1 150.635(15) 2_655 12_666 ? 
Y3 Au2 Au1 63.30(5) . 12_666 ? 
Au1 Au2 Au1 128.324(8) 2_655 12_666 ? 
Au1 Au2 Au1 98.029(19) 11_656 12_666 ? 
Sn5 Au2 Au1 119.348(15) 4_665 3_665 ? 
Sn5 Au2 Au1 60.652(14) 7_665 3_665 ? 
Y3 Au2 Au1 65.03(5) 3_665 3_665 ? 
Y3 Au2 Au1 150.635(15) 2_655 3_665 ? 
Y3 Au2 Au1 63.30(5) . 3_665 ? 
Au1 Au2 Au1 98.029(19) 2_655 3_665 ? 
Au1 Au2 Au1 128.324(8) 11_656 3_665 ? 
Au1 Au2 Au1 58.70(3) 12_666 3_665 ? 
Sn5 Au2 Au1 119.348(14) 4_665 . ? 
Sn5 Au2 Au1 60.652(14) 7_665 . ? 
Y3 Au2 Au1 150.635(15) 3_665 . ? 
Y3 Au2 Au1 63.30(5) 2_655 . ? 
Y3 Au2 Au1 65.03(5) . . ? 
Au1 Au2 Au1 98.029(19) 2_655 . ? 
Au1 Au2 Au1 128.324(8) 11_656 . ? 
Au1 Au2 Au1 128.324(8) 12_666 . ? 
Au1 Au2 Au1 98.029(19) 3_665 . ? 
Sn5 Au2 Au1 60.652(14) 4_665 10_556 ? 
Sn5 Au2 Au1 119.348(14) 7_665 10_556 ? 
Y3 Au2 Au1 150.635(15) 3_665 10_556 ? 
Y3 Au2 Au1 63.30(5) 2_655 10_556 ? 
Y3 Au2 Au1 65.03(5) . 10_556 ? 
Au1 Au2 Au1 128.324(8) 2_655 10_556 ? 
Au1 Au2 Au1 98.029(19) 11_656 10_556 ? 
Au1 Au2 Au1 98.029(19) 12_666 10_556 ? 
Au1 Au2 Au1 128.324(8) 3_665 10_556 ? 
Au1 Au2 Au1 58.70(3) . 10_556 ? 
Au2 Y3 Au1 151.23(3) . 11_666 ? 
Au2 Y3 Au1 151.23(3) . 2_665 ? 
Au1 Y3 Au1 57.54(5) 11_666 2_665 ? 
Au2 Y3 Au1 58.97(5) . 12_666 ? 
Au1 Y3 Au1 103.38(6) 11_666 12_666 ? 
Au1 Y3 Au1 133.15(9) 2_665 12_666 ? 
Au2 Y3 Au1 58.97(5) . 3_665 ? 
Au1 Y3 Au1 133.15(9) 11_666 3_665 ? 
Au1 Y3 Au1 103.38(6) 2_665 3_665 ? 
Au1 Y3 Au1 56.08(5) 12_666 3_665 ? 
Au2 Y3 Au1 58.08(5) . . ? 
Au1 Y3 Au1 132.72(9) 11_666 . ? 
Au1 Y3 Au1 103.69(6) 2_665 . ? 
Au1 Y3 Au1 117.05(8) 12_666 . ? 
Au1 Y3 Au1 91.33(5) 3_665 . ? 
Au2 Y3 Au1 58.08(5) . 10_556 ? 
Au1 Y3 Au1 103.69(6) 11_666 10_556 ? 
Au1 Y3 Au1 132.72(9) 2_665 10_556 ? 
Au1 Y3 Au1 91.33(5) 12_666 10_556 ? 
Au1 Y3 Au1 117.05(8) 3_665 10_556 ? 
Au1 Y3 Au1 54.63(5) . 10_556 ? 
Au2 Y3 Au1 87.89(5) . 7_665 ? 
Au1 Y3 Au1 120.83(7) 11_666 7_665 ? 
Au1 Y3 Au1 63.35(3) 2_665 7_665 ? 
Au1 Y3 Au1 118.61(7) 12_666 7_665 ? 
Au1 Y3 Au1 62.61(3) 3_665 7_665 ? 
Au1 Y3 Au1 59.60(4) . 7_665 ? 
Au1 Y3 Au1 114.23(7) 10_556 7_665 ? 
Au2 Y3 Au1 87.89(5) . 4_665 ? 
Au1 Y3 Au1 63.35(3) 11_666 4_665 ? 
Au1 Y3 Au1 120.83(7) 2_665 4_665 ? 
Au1 Y3 Au1 62.61(3) 12_666 4_665 ? 
Au1 Y3 Au1 118.61(7) 3_665 4_665 ? 
Au1 Y3 Au1 114.23(7) . 4_665 ? 
Au1 Y3 Au1 59.60(4) 10_556 4_665 ? 
Au1 Y3 Au1 173.79(9) 7_665 4_665 ? 
Au2 Y3 Sn5 110.17(7) . . ? 
Au1 Y3 Sn5 88.68(7) 11_666 . ? 
Au1 Y3 Sn5 53.61(4) 2_665 . ? 
Au1 Y3 Sn5 167.93(8) 12_666 . ? 
Au1 Y3 Sn5 114.89(3) 3_665 . ? 
Au1 Y3 Sn5 52.45(3) . . ? 
Au1 Y3 Sn5 86.23(7) 10_556 . ? 
Au1 Y3 Sn5 52.58(3) 7_665 . ? 
Au1 Y3 Sn5 125.12(8) 4_665 . ? 
Au2 Y3 Sn5 110.17(7) . 10_556 ? 
Au1 Y3 Sn5 53.61(4) 11_666 10_556 ? 
Au1 Y3 Sn5 88.68(7) 2_665 10_556 ? 
Au1 Y3 Sn5 114.89(3) 12_666 10_556 ? 
Au1 Y3 Sn5 167.93(8) 3_665 10_556 ? 
Au1 Y3 Sn5 86.23(7) . 10_556 ? 
Au1 Y3 Sn5 52.45(3) 10_556 10_556 ? 
Au1 Y3 Sn5 125.12(8) 7_665 10_556 ? 
Au1 Y3 Sn5 52.58(3) 4_665 10_556 ? 
Sn5 Y3 Sn5 72.65(8) . 10_556 ? 
Au2 Sn5 Au1 99.92(4) 7_665 3_565 ? 
Au2 Sn5 Au1 99.92(4) 7_665 2_665 ? 
Au1 Sn5 Au1 117.10(2) 3_565 2_665 ? 
Au2 Sn5 Au1 99.92(4) 7_665 . ? 
Au1 Sn5 Au1 117.10(2) 3_565 . ? 
Au1 Sn5 Au1 117.10(2) 2_665 . ? 
Au2 Sn5 Au1 63.22(4) 7_665 9 ? 
Au1 Sn5 Au1 67.47(3) 3_565 9 ? 
Au1 Sn5 Au1 163.07(7) 2_665 9 ? 
Au1 Sn5 Au1 70.09(3) . 9 ? 
Au2 Sn5 Au1 63.22(4) 7_665 8_565 ? 
Au1 Sn5 Au1 70.09(3) 3_565 8_565 ? 
Au1 Sn5 Au1 67.47(3) 2_665 8_565 ? 
Au1 Sn5 Au1 163.07(7) . 8_565 ? 
Au1 Sn5 Au1 101.27(5) 9 8_565 ? 
Au2 Sn5 Au1 63.22(4) 7_665 7_665 ? 
Au1 Sn5 Au1 163.07(7) 3_565 7_665 ? 
Au1 Sn5 Au1 70.09(3) 2_665 7_665 ? 
Au1 Sn5 Au1 67.47(3) . 7_665 ? 
Au1 Sn5 Au1 101.27(5) 9 7_665 ? 
Au1 Sn5 Au1 101.27(5) 8_565 7_665 ? 
Au2 Sn5 Y3 126.32(4) 7_665 2_665 ? 
Au1 Sn5 Y3 58.47(5) 3_565 2_665 ? 
Au1 Sn5 Y3 61.68(5) 2_665 2_665 ? 
Au1 Sn5 Y3 133.72(7) . 2_665 ? 
Au1 Sn5 Y3 125.90(5) 9 2_665 ? 
Au1 Sn5 Y3 63.20(3) 8_565 2_665 ? 
Au1 Sn5 Y3 131.70(5) 7_665 2_665 ? 
Au2 Sn5 Y3 126.32(4) 7_665 3_565 ? 
Au1 Sn5 Y3 61.68(5) 3_565 3_565 ? 
Au1 Sn5 Y3 133.72(7) 2_665 3_565 ? 
Au1 Sn5 Y3 58.47(5) . 3_565 ? 
Au1 Sn5 Y3 63.20(3) 9 3_565 ? 
Au1 Sn5 Y3 131.70(5) 8_565 3_565 ? 
Au1 Sn5 Y3 125.90(5) 7_665 3_565 ? 
Y3 Sn5 Y3 88.49(6) 2_665 3_565 ? 
Au2 Sn5 Y3 126.32(4) 7_665 . ? 
Au1 Sn5 Y3 133.72(7) 3_565 . ? 
Au1 Sn5 Y3 58.47(5) 2_665 . ? 
Au1 Sn5 Y3 61.68(5) . . ? 
Au1 Sn5 Y3 131.70(5) 9 . ? 
Au1 Sn5 Y3 125.90(5) 8_565 . ? 
Au1 Sn5 Y3 63.20(3) 7_665 . ? 
Y3 Sn5 Y3 88.49(6) 2_665 . ? 
Y3 Sn5 Y3 88.49(6) 3_565 . ? 
Au1 Sn6 Au1 180.00(4) . 7 ? 
Au1 Sn6 Au1 69.069(14) . 8 ? 
Au1 Sn6 Au1 110.931(14) 7 8 ? 
Au1 Sn6 Au1 69.069(14) . 9 ? 
Au1 Sn6 Au1 110.931(14) 7 9 ? 
Au1 Sn6 Au1 110.931(14) 8 9 ? 
Au1 Sn6 Au1 110.931(14) . 3 ? 
Au1 Sn6 Au1 69.069(14) 7 3 ? 
Au1 Sn6 Au1 69.069(14) 8 3 ? 
Au1 Sn6 Au1 180.00(4) 9 3 ? 
Au1 Sn6 Au1 110.931(14) . 2 ? 
Au1 Sn6 Au1 69.069(14) 7 2 ? 
Au1 Sn6 Au1 180.00(3) 8 2 ? 
Au1 Sn6 Au1 69.069(14) 9 2 ? 
Au1 Sn6 Au1 110.931(14) 3 2 ? 
Au1 Sn6 Y3 124.77(4) . 9_545 ? 
Au1 Sn6 Y3 55.23(4) 7 9_545 ? 
Au1 Sn6 Y3 56.71(4) 8 9_545 ? 
Au1 Sn6 Y3 119.89(3) 9 9_545 ? 
Au1 Sn6 Y3 60.11(3) 3 9_545 ? 
Au1 Sn6 Y3 123.29(4) 2 9_545 ? 
Au1 Sn6 Y3 55.23(4) . 3_565 ? 
Au1 Sn6 Y3 124.77(4) 7 3_565 ? 
Au1 Sn6 Y3 123.29(4) 8 3_565 ? 
Au1 Sn6 Y3 60.11(3) 9 3_565 ? 
Au1 Sn6 Y3 119.89(3) 3 3_565 ? 
Au1 Sn6 Y3 56.71(4) 2 3_565 ? 
Y3 Sn6 Y3 180.00(9) 9_545 3_565 ? 
Au1 Sn6 Y3 56.71(4) . 2_655 ? 
Au1 Sn6 Y3 123.29(4) 7 2_655 ? 
Au1 Sn6 Y3 60.11(3) 8 2_655 ? 
Au1 Sn6 Y3 124.77(4) 9 2_655 ? 
Au1 Sn6 Y3 55.23(4) 3 2_655 ? 
Au1 Sn6 Y3 119.89(3) 2 2_655 ? 
Y3 Sn6 Y3 100.09(4) 9_545 2_655 ? 
Y3 Sn6 Y3 79.91(4) 3_565 2_655 ? 
Au1 Sn6 Y3 123.29(4) . 8_455 ? 
Au1 Sn6 Y3 56.71(4) 7 8_455 ? 
Au1 Sn6 Y3 119.89(3) 8 8_455 ? 
Au1 Sn6 Y3 55.23(4) 9 8_455 ? 
Au1 Sn6 Y3 124.77(4) 3 8_455 ? 
Au1 Sn6 Y3 60.11(3) 2 8_455 ? 
Y3 Sn6 Y3 79.91(4) 9_545 8_455 ? 
Y3 Sn6 Y3 100.09(4) 3_565 8_455 ? 
Y3 Sn6 Y3 180.00(9) 2_655 8_455 ? 


 
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              27.49 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    2.294 
_refine_diff_density_min   -3.547 
_refine_diff_density_rms    0.562 

 
data_Gd3Au7Sn3
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Au7 Gd3 Sn3' 
_chemical_formula_weight          2206.59

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'Sn'  'Sn'  -0.6537   1.4246
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Gd'  'Gd'  -0.1653   3.9035
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Au'  'Au'  -2.0133   8.8022
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       hexagonal
_space_group_IT_number            176
_space_group_name_H-M_alt         'P 63/m'
_space_group_name_Hall            '-P 6c'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 '-x, -y, z+1/2'
 'y, -x+y, z+1/2'
 'x-y, x, z+1/2'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 'x, y, -z-1/2'
 '-y, x-y, -z-1/2'
 '-x+y, -x, -z-1/2'
 
_cell_length_a                    8.185(3)
_cell_length_b                    8.185(3)
_cell_length_c                    9.415(3)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 120
_cell_volume                      546.2(4)
_cell_formula_units_Z             2
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        'irregular fragment' 
_exptl_crystal_colour             ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ?              
_exptl_crystal_density_diffrn     13.416         
_exptl_crystal_F_000              1790
_exptl_transmission_factor_min    ?                                             
_exptl_transmission_factor_max    ?                                             
_exptl_crystal_size_max           0.1 
_exptl_crystal_size_mid           0.08
_exptl_crystal_size_min           0.06 
_exptl_absorpt_coefficient_mu     118.165
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    'empirical' 
_exptl_absorpt_correction_T_min   0.22 
_exptl_absorpt_correction_T_max   0.31 
_exptl_absorpt_process_details     'Blessing, R. H. (1995). Acta Cryst. A51, 3338.'  
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       296(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?                       
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             2917
_diffrn_reflns_av_unetI/netI      0.0399
_diffrn_reflns_av_R_equivalents   0.0785
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_k_min        -10
_diffrn_reflns_limit_k_max        9
_diffrn_reflns_limit_l_min        -11
_diffrn_reflns_limit_l_max        11
_diffrn_reflns_theta_min          4.982
_diffrn_reflns_theta_max          26.058
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.992
_diffrn_measured_fraction_theta_full  0.991
_diffrn_reflns_Laue_measured_fraction_max    0.992
_diffrn_reflns_Laue_measured_fraction_full   0.991
_diffrn_reflns_point_group_measured_fraction_max   0.992
_diffrn_reflns_point_group_measured_fraction_full  0.991
_reflns_number_total              385
_reflns_number_gt                 329
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0166P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.00028(4)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          385
_refine_ls_number_parameters      25
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0394
_refine_ls_R_factor_gt            0.0295
_refine_ls_wR_factor_ref          0.0622
_refine_ls_wR_factor_gt           0.0593
_refine_ls_goodness_of_fit_ref    1.096
_refine_ls_restrained_S_all       1.096
_refine_ls_shift/su_max           0.000
_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_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Au1 Au 0.6667 0.3333 0.2500 0.0078(4) Uani 1 6 d S T P . .
Au2 Au 0.35205(11) 0.01780(11) 0.09569(7) 0.0085(3) Uani 1 1 d . . . . .
Gd3 Gd 0.29928(19) 0.32040(19) 0.2500 0.0060(3) Uani 1 2 d S T P . .
Sn4 Sn 0.3333 0.6667 0.0424(2) 0.0057(5) Uani 1 3 d S T P . .
Sn5 Sn 0.0000 0.0000 0.0000 0.0058(7) Uani 1 6 d S T P . .
 
 
_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
Au1 Sn4 2.753(2) 4_665 ?
Au1 Sn4 2.753(2) 7_665 ?
Au1 Gd3 2.9554(16) 2_655 ?
Au1 Gd3 2.9555(16) 3_665 ?
Au1 Gd3 2.9554(16) . ?
Au1 Au2 2.9599(10) 11_656 ?
Au1 Au2 2.9599(10) 2_655 ?
Au1 Au2 2.9599(10) 10_556 ?
Au1 Au2 2.9599(10) 12_666 ?
Au1 Au2 2.9599(10) 3_665 ?
Au1 Au2 2.9599(10) . ?
Au2 Sn4 2.8451(12) 1_545 ?
Au2 Sn4 2.8879(14) 7_665 ?
Au2 Au2 2.9059(16) 10_556 ?
Au2 Sn5 2.9523(12) . ?
Au2 Gd3 3.0254(16) 3 ?
Au2 Gd3 3.0824(17) . ?
Au2 Au2 3.1468(17) 7_655 ?
Au2 Gd3 3.2021(17) 2_655 ?
Au2 Gd3 3.2663(12) 8 ?
Au2 Au2 3.3393(13) 8 ?
Au2 Au2 3.3393(13) 9 ?
Gd3 Au2 3.0255(16) 2 ?
Gd3 Au2 3.0255(16) 11_556 ?
Gd3 Au2 3.0824(17) 10_556 ?
Gd3 Au2 3.2021(17) 12_666 ?
Gd3 Au2 3.2021(17) 3_665 ?
Gd3 Au2 3.2663(12) 6 ?
Gd3 Au2 3.2663(12) 9 ?
Gd3 Sn4 3.3378(17) 10_556 ?
Gd3 Sn4 3.3379(17) . ?
Gd3 Sn5 3.4632(12) . ?
Sn4 Au1 2.753(2) 7_665 ?
Sn4 Au2 2.8451(12) 1_565 ?
Sn4 Au2 2.8451(12) 2 ?
Sn4 Au2 2.8451(12) 3_665 ?
Sn4 Au2 2.8879(14) 8_565 ?
Sn4 Au2 2.8879(14) 7_665 ?
Sn4 Au2 2.8879(14) 9 ?
Sn4 Gd3 3.3379(17) 2_665 ?
Sn4 Gd3 3.3379(17) 3_565 ?
Sn5 Au2 2.9523(12) 9 ?
Sn5 Au2 2.9523(12) 3 ?
Sn5 Au2 2.9523(12) 7 ?
Sn5 Au2 2.9523(12) 2 ?
Sn5 Au2 2.9523(12) 8 ?
Sn5 Gd3 3.4632(12) 7 ?
Sn5 Gd3 3.4632(12) 9 ?
Sn5 Gd3 3.4632(12) 2 ?
Sn5 Gd3 3.4632(12) 8 ?
Sn5 Gd3 3.4632(12) 3 ?
 
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
Sn4 Au1 Sn4 180.0 4_665 7_665 ?
Sn4 Au1 Gd3 90.0 4_665 2_655 ?
Sn4 Au1 Gd3 90.0 7_665 2_655 ?
Sn4 Au1 Gd3 90.0 4_665 3_665 ?
Sn4 Au1 Gd3 90.0 7_665 3_665 ?
Gd3 Au1 Gd3 120.0 2_655 3_665 ?
Sn4 Au1 Gd3 90.0 4_665 . ?
Sn4 Au1 Gd3 90.0 7_665 . ?
Gd3 Au1 Gd3 120.0 2_655 . ?
Gd3 Au1 Gd3 120.0 3_665 . ?
Sn4 Au1 Au2 60.603(16) 4_665 11_656 ?
Sn4 Au1 Au2 119.399(17) 7_665 11_656 ?
Gd3 Au1 Au2 62.81(3) 2_655 11_656 ?
Gd3 Au1 Au2 65.55(3) 3_665 11_656 ?
Gd3 Au1 Au2 150.561(17) . 11_656 ?
Sn4 Au1 Au2 119.399(17) 4_665 2_655 ?
Sn4 Au1 Au2 60.603(16) 7_665 2_655 ?
Gd3 Au1 Au2 62.81(3) 2_655 2_655 ?
Gd3 Au1 Au2 65.55(3) 3_665 2_655 ?
Gd3 Au1 Au2 150.561(17) . 2_655 ?
Au2 Au1 Au2 58.80(3) 11_656 2_655 ?
Sn4 Au1 Au2 60.602(17) 4_665 10_556 ?
Sn4 Au1 Au2 119.398(17) 7_665 10_556 ?
Gd3 Au1 Au2 65.55(3) 2_655 10_556 ?
Gd3 Au1 Au2 150.561(17) 3_665 10_556 ?
Gd3 Au1 Au2 62.81(3) . 10_556 ?
Au2 Au1 Au2 97.96(2) 11_656 10_556 ?
Au2 Au1 Au2 128.351(9) 2_655 10_556 ?
Sn4 Au1 Au2 60.601(16) 4_665 12_666 ?
Sn4 Au1 Au2 119.397(16) 7_665 12_666 ?
Gd3 Au1 Au2 150.561(17) 2_655 12_666 ?
Gd3 Au1 Au2 62.81(3) 3_665 12_666 ?
Gd3 Au1 Au2 65.55(3) . 12_666 ?
Au2 Au1 Au2 97.96(2) 11_656 12_666 ?
Au2 Au1 Au2 128.351(9) 2_655 12_666 ?
Au2 Au1 Au2 97.96(2) 10_556 12_666 ?
Sn4 Au1 Au2 119.397(16) 4_665 3_665 ?
Sn4 Au1 Au2 60.601(16) 7_665 3_665 ?
Gd3 Au1 Au2 150.561(17) 2_655 3_665 ?
Gd3 Au1 Au2 62.81(3) 3_665 3_665 ?
Gd3 Au1 Au2 65.55(3) . 3_665 ?
Au2 Au1 Au2 128.351(9) 11_656 3_665 ?
Au2 Au1 Au2 97.96(2) 2_655 3_665 ?
Au2 Au1 Au2 128.351(9) 10_556 3_665 ?
Au2 Au1 Au2 58.80(3) 12_666 3_665 ?
Sn4 Au1 Au2 119.398(17) 4_665 . ?
Sn4 Au1 Au2 60.602(16) 7_665 . ?
Gd3 Au1 Au2 65.55(3) 2_655 . ?
Gd3 Au1 Au2 150.561(17) 3_665 . ?
Gd3 Au1 Au2 62.81(3) . . ?
Au2 Au1 Au2 128.351(9) 11_656 . ?
Au2 Au1 Au2 97.96(2) 2_655 . ?
Au2 Au1 Au2 58.80(3) 10_556 . ?
Au2 Au1 Au2 128.351(9) 12_666 . ?
Au2 Au1 Au2 97.96(2) 3_665 . ?
Sn4 Au2 Sn4 113.42(3) 1_545 7_665 ?
Sn4 Au2 Au2 100.16(4) 1_545 10_556 ?
Sn4 Au2 Au2 116.75(4) 7_665 10_556 ?
Sn4 Au2 Sn5 109.76(3) 1_545 . ?
Sn4 Au2 Sn5 108.58(3) 7_665 . ?
Au2 Au2 Sn5 107.768(15) 10_556 . ?
Sn4 Au2 Au1 123.50(3) 1_545 . ?
Sn4 Au2 Au1 56.15(4) 7_665 . ?
Au2 Au2 Au1 60.601(16) 10_556 . ?
Sn5 Au2 Au1 126.49(3) . . ?
Sn4 Au2 Gd3 69.22(3) 1_545 3 ?
Sn4 Au2 Gd3 177.20(4) 7_665 3 ?
Au2 Au2 Gd3 61.30(2) 10_556 3 ?
Sn5 Au2 Gd3 70.80(3) . 3 ?
Au1 Au2 Gd3 121.86(3) . 3 ?
Sn4 Au2 Gd3 159.45(4) 1_545 . ?
Sn4 Au2 Gd3 85.08(4) 7_665 . ?
Au2 Au2 Gd3 61.88(2) 10_556 . ?
Sn5 Au2 Gd3 70.01(3) . . ?
Au1 Au2 Gd3 58.52(3) . . ?
Gd3 Au2 Gd3 92.17(5) 3 . ?
Sn4 Au2 Au2 57.36(3) 1_545 7_655 ?
Sn4 Au2 Au2 56.06(3) 7_665 7_655 ?
Au2 Au2 Au2 124.93(3) 10_556 7_655 ?
Sn5 Au2 Au2 126.73(4) . 7_655 ?
Au1 Au2 Au2 89.30(4) . 7_655 ?
Gd3 Au2 Au2 126.58(4) 3 7_655 ?
Gd3 Au2 Au2 140.16(5) . 7_655 ?
Sn4 Au2 Gd3 66.70(3) 1_545 2_655 ?
Sn4 Au2 Gd3 82.92(4) 7_665 2_655 ?
Au2 Au2 Gd3 63.02(2) 10_556 2_655 ?
Sn5 Au2 Gd3 168.12(3) . 2_655 ?
Au1 Au2 Gd3 57.16(3) . 2_655 ?
Gd3 Au2 Gd3 97.57(5) 3 2_655 ?
Gd3 Au2 Gd3 109.07(5) . 2_655 ?
Au2 Au2 Gd3 61.92(4) 7_655 2_655 ?
Sn4 Au2 Gd3 82.43(5) 1_545 8 ?
Sn4 Au2 Gd3 65.35(5) 7_665 8 ?
Au2 Au2 Gd3 175.19(3) 10_556 8 ?
Sn5 Au2 Gd3 67.47(3) . 8 ?
Au1 Au2 Gd3 121.33(3) . 8 ?
Gd3 Au2 Gd3 116.42(4) 3 8 ?
Gd3 Au2 Gd3 114.80(4) . 8 ?
Au2 Au2 Gd3 59.87(3) 7_655 8 ?
Gd3 Au2 Gd3 121.79(3) 2_655 8 ?
Sn4 Au2 Au2 54.97(3) 1_545 8 ?
Sn4 Au2 Au2 120.55(5) 7_665 8 ?
Au2 Au2 Au2 122.66(2) 10_556 8 ?
Sn5 Au2 Au2 55.560(7) . 8 ?
Au1 Au2 Au2 176.13(3) . 8 ?
Gd3 Au2 Au2 61.52(3) 3 8 ?
Gd3 Au2 Au2 124.35(3) . 8 ?
Au2 Au2 Au2 86.99(4) 7_655 8 ?
Gd3 Au2 Au2 121.63(3) 2_655 8 ?
Gd3 Au2 Au2 55.62(3) 8 8 ?
Sn4 Au2 Au2 136.89(5) 1_545 9 ?
Sn4 Au2 Au2 53.78(3) 7_665 9 ?
Au2 Au2 Au2 122.66(2) 10_556 9 ?
Sn5 Au2 Au2 55.560(7) . 9 ?
Au1 Au2 Au2 85.72(3) . 9 ?
Gd3 Au2 Au2 125.09(3) 3 9 ?
Gd3 Au2 Au2 60.99(3) . 9 ?
Au2 Au2 Au2 96.76(4) 7_655 9 ?
Gd3 Au2 Au2 135.07(3) 2_655 9 ?
Gd3 Au2 Au2 54.50(3) 8 9 ?
Au2 Au2 Au2 93.63(3) 8 9 ?
Au1 Gd3 Au2 151.06(2) . 2 ?
Au1 Gd3 Au2 151.06(2) . 11_556 ?
Au2 Gd3 Au2 57.40(4) 2 11_556 ?
Au1 Gd3 Au2 58.67(3) . 10_556 ?
Au2 Gd3 Au2 136.38(5) 2 10_556 ?
Au2 Gd3 Au2 105.74(4) 11_556 10_556 ?
Au1 Gd3 Au2 58.67(3) . . ?
Au2 Gd3 Au2 105.74(4) 2 . ?
Au2 Gd3 Au2 136.38(5) 11_556 . ?
Au2 Gd3 Au2 56.25(4) 10_556 . ?
Au1 Gd3 Au2 57.29(3) . 12_666 ?
Au2 Gd3 Au2 130.43(5) 2 12_666 ?
Au2 Gd3 Au2 102.28(4) 11_556 12_666 ?
Au2 Gd3 Au2 90.57(4) 10_556 12_666 ?
Au2 Gd3 Au2 115.95(5) . 12_666 ?
Au1 Gd3 Au2 57.29(3) . 3_665 ?
Au2 Gd3 Au2 102.28(4) 2 3_665 ?
Au2 Gd3 Au2 130.43(5) 11_556 3_665 ?
Au2 Gd3 Au2 115.95(5) 10_556 3_665 ?
Au2 Gd3 Au2 90.57(4) . 3_665 ?
Au2 Gd3 Au2 53.97(4) 12_666 3_665 ?
Au1 Gd3 Au2 87.13(3) . 6 ?
Au2 Gd3 Au2 121.22(4) 2 6 ?
Au2 Gd3 Au2 63.98(2) 11_556 6 ?
Au2 Gd3 Au2 63.39(2) 10_556 6 ?
Au2 Gd3 Au2 119.44(4) . 6 ?
Au2 Gd3 Au2 58.21(3) 12_666 6 ?
Au2 Gd3 Au2 112.18(4) 3_665 6 ?
Au1 Gd3 Au2 87.13(3) . 9 ?
Au2 Gd3 Au2 63.98(2) 2 9 ?
Au2 Gd3 Au2 121.22(4) 11_556 9 ?
Au2 Gd3 Au2 119.44(4) 10_556 9 ?
Au2 Gd3 Au2 63.39(2) . 9 ?
Au2 Gd3 Au2 112.18(4) 12_666 9 ?
Au2 Gd3 Au2 58.21(3) 3_665 9 ?
Au2 Gd3 Au2 170.39(5) 6 9 ?
Au1 Gd3 Sn4 108.54(3) . 10_556 ?
Au2 Gd3 Sn4 87.62(4) 2 10_556 ?
Au2 Gd3 Sn4 52.84(2) 11_556 10_556 ?
Au2 Gd3 Sn4 114.86(4) 10_556 10_556 ?
Au2 Gd3 Sn4 166.54(5) . 10_556 ?
Au2 Gd3 Sn4 51.52(2) 12_666 10_556 ?
Au2 Gd3 Sn4 84.79(4) 3_665 10_556 ?
Au2 Gd3 Sn4 51.85(3) 6 10_556 ?
Au2 Gd3 Sn4 123.33(5) 9 10_556 ?
Au1 Gd3 Sn4 108.55(3) . . ?
Au2 Gd3 Sn4 52.84(2) 2 . ?
Au2 Gd3 Sn4 87.62(4) 11_556 . ?
Au2 Gd3 Sn4 166.54(5) 10_556 . ?
Au2 Gd3 Sn4 114.86(4) . . ?
Au2 Gd3 Sn4 84.79(4) 12_666 . ?
Au2 Gd3 Sn4 51.52(2) 3_665 . ?
Au2 Gd3 Sn4 123.33(5) 6 . ?
Au2 Gd3 Sn4 51.85(3) 9 . ?
Sn4 Gd3 Sn4 71.70(7) 10_556 . ?
Au1 Gd3 Sn5 110.42(3) . . ?
Au2 Gd3 Sn5 53.61(2) 2 . ?
Au2 Gd3 Sn5 93.42(4) 11_556 . ?
Au2 Gd3 Sn5 92.42(4) 10_556 . ?
Au2 Gd3 Sn5 53.23(2) . . ?
Au2 Gd3 Sn5 162.58(3) 12_666 . ?
Au2 Gd3 Sn5 109.72(3) 3_665 . ?
Au2 Gd3 Sn5 137.57(4) 6 . ?
Au2 Gd3 Sn5 51.94(2) 9 . ?
Sn4 Gd3 Sn5 140.19(5) 10_556 . ?
Sn4 Gd3 Sn5 88.40(3) . . ?
Au1 Sn4 Au2 100.16(4) 7_665 1_565 ?
Au1 Sn4 Au2 100.16(4) 7_665 2 ?
Au2 Sn4 Au2 116.96(2) 1_565 2 ?
Au1 Sn4 Au2 100.16(4) 7_665 3_665 ?
Au2 Sn4 Au2 116.96(2) 1_565 3_665 ?
Au2 Sn4 Au2 116.96(2) 2 3_665 ?
Au1 Sn4 Au2 63.25(4) 7_665 8_565 ?
Au2 Sn4 Au2 71.25(3) 1_565 8_565 ?
Au2 Sn4 Au2 66.58(3) 2 8_565 ?
Au2 Sn4 Au2 163.19(7) 3_665 8_565 ?
Au1 Sn4 Au2 63.25(4) 7_665 7_665 ?
Au2 Sn4 Au2 66.58(3) 1_565 7_665 ?
Au2 Sn4 Au2 163.19(7) 2 7_665 ?
Au2 Sn4 Au2 71.24(3) 3_665 7_665 ?
Au2 Sn4 Au2 101.31(5) 8_565 7_665 ?
Au1 Sn4 Au2 63.25(4) 7_665 9 ?
Au2 Sn4 Au2 163.19(7) 1_565 9 ?
Au2 Sn4 Au2 71.24(3) 2 9 ?
Au2 Sn4 Au2 66.58(3) 3_665 9 ?
Au2 Sn4 Au2 101.31(5) 8_565 9 ?
Au2 Sn4 Au2 101.31(5) 7_665 9 ?
Au1 Sn4 Gd3 125.85(3) 7_665 2_665 ?
Au2 Sn4 Gd3 61.78(3) 1_565 2_665 ?
Au2 Sn4 Gd3 133.93(7) 2 2_665 ?
Au2 Sn4 Gd3 57.94(3) 3_665 2_665 ?
Au2 Sn4 Gd3 132.96(3) 8_565 2_665 ?
Au2 Sn4 Gd3 62.80(3) 7_665 2_665 ?
Au2 Sn4 Gd3 124.51(3) 9 2_665 ?
Au1 Sn4 Gd3 125.85(3) 7_665 3_565 ?
Au2 Sn4 Gd3 57.94(3) 1_565 3_565 ?
Au2 Sn4 Gd3 61.78(3) 2 3_565 ?
Au2 Sn4 Gd3 133.93(7) 3_665 3_565 ?
Au2 Sn4 Gd3 62.80(3) 8_565 3_565 ?
Au2 Sn4 Gd3 124.51(3) 7_665 3_565 ?
Au2 Sn4 Gd3 132.96(3) 9 3_565 ?
Gd3 Sn4 Gd3 89.17(5) 2_665 3_565 ?
Au1 Sn4 Gd3 125.85(3) 7_665 . ?
Au2 Sn4 Gd3 133.93(7) 1_565 . ?
Au2 Sn4 Gd3 57.94(3) 2 . ?
Au2 Sn4 Gd3 61.78(3) 3_665 . ?
Au2 Sn4 Gd3 124.51(3) 8_565 . ?
Au2 Sn4 Gd3 132.96(3) 7_665 . ?
Au2 Sn4 Gd3 62.80(3) 9 . ?
Gd3 Sn4 Gd3 89.17(5) 2_665 . ?
Gd3 Sn4 Gd3 89.17(5) 3_565 . ?
Au2 Sn5 Au2 68.881(14) . 9 ?
Au2 Sn5 Au2 111.119(14) . 3 ?
Au2 Sn5 Au2 180.00(3) 9 3 ?
Au2 Sn5 Au2 180.0 . 7 ?
Au2 Sn5 Au2 111.119(14) 9 7 ?
Au2 Sn5 Au2 68.881(14) 3 7 ?
Au2 Sn5 Au2 111.120(14) . 2 ?
Au2 Sn5 Au2 68.881(14) 9 2 ?
Au2 Sn5 Au2 111.119(14) 3 2 ?
Au2 Sn5 Au2 68.881(14) 7 2 ?
Au2 Sn5 Au2 68.880(14) . 8 ?
Au2 Sn5 Au2 111.119(14) 9 8 ?
Au2 Sn5 Au2 68.881(14) 3 8 ?
Au2 Sn5 Au2 111.119(14) 7 8 ?
Au2 Sn5 Au2 180.00(3) 2 8 ?
Au2 Sn5 Gd3 56.76(3) . . ?
Au2 Sn5 Gd3 60.59(3) 9 . ?
Au2 Sn5 Gd3 119.41(3) 3 . ?
Au2 Sn5 Gd3 123.24(3) 7 . ?
Au2 Sn5 Gd3 55.59(3) 2 . ?
Au2 Sn5 Gd3 124.41(3) 8 . ?
Au2 Sn5 Gd3 123.24(3) . 7 ?
Au2 Sn5 Gd3 119.41(3) 9 7 ?
Au2 Sn5 Gd3 60.59(3) 3 7 ?
Au2 Sn5 Gd3 56.76(3) 7 7 ?
Au2 Sn5 Gd3 124.41(3) 2 7 ?
Au2 Sn5 Gd3 55.59(3) 8 7 ?
Gd3 Sn5 Gd3 180.0 . 7 ?
Au2 Sn5 Gd3 124.41(3) . 9 ?
Au2 Sn5 Gd3 56.76(3) 9 9 ?
Au2 Sn5 Gd3 123.24(3) 3 9 ?
Au2 Sn5 Gd3 55.59(3) 7 9 ?
Au2 Sn5 Gd3 60.59(3) 2 9 ?
Au2 Sn5 Gd3 119.41(3) 8 9 ?
Gd3 Sn5 Gd3 101.12(3) . 9 ?
Gd3 Sn5 Gd3 78.88(3) 7 9 ?
Au2 Sn5 Gd3 119.41(3) . 2 ?
Au2 Sn5 Gd3 124.41(3) 9 2 ?
Au2 Sn5 Gd3 55.59(3) 3 2 ?
Au2 Sn5 Gd3 60.59(3) 7 2 ?
Au2 Sn5 Gd3 56.76(3) 2 2 ?
Au2 Sn5 Gd3 123.24(3) 8 2 ?
Gd3 Sn5 Gd3 78.88(3) . 2 ?
Gd3 Sn5 Gd3 101.12(3) 7 2 ?
Gd3 Sn5 Gd3 101.12(3) 9 2 ?
Au2 Sn5 Gd3 60.59(3) . 8 ?
Au2 Sn5 Gd3 55.59(3) 9 8 ?
Au2 Sn5 Gd3 124.41(3) 3 8 ?
Au2 Sn5 Gd3 119.41(3) 7 8 ?
Au2 Sn5 Gd3 123.24(3) 2 8 ?
Au2 Sn5 Gd3 56.76(3) 8 8 ?
Gd3 Sn5 Gd3 101.12(3) . 8 ?
Gd3 Sn5 Gd3 78.88(3) 7 8 ?
Gd3 Sn5 Gd3 78.88(3) 9 8 ?
Gd3 Sn5 Gd3 180.0 2 8 ?
Au2 Sn5 Gd3 55.59(3) . 3 ?
Au2 Sn5 Gd3 123.24(3) 9 3 ?
Au2 Sn5 Gd3 56.76(3) 3 3 ?
Au2 Sn5 Gd3 124.41(3) 7 3 ?
Au2 Sn5 Gd3 119.41(3) 2 3 ?
Au2 Sn5 Gd3 60.59(3) 8 3 ?
Gd3 Sn5 Gd3 78.88(3) . 3 ?
Gd3 Sn5 Gd3 101.12(3) 7 3 ?
Gd3 Sn5 Gd3 180.00(4) 9 3 ?
Gd3 Sn5 Gd3 78.88(3) 2 3 ?
Gd3 Sn5 Gd3 101.12(3) 8 3 ?
 
_refine_diff_density_max    3.000
_refine_diff_density_min   -2.813
_refine_diff_density_rms    0.559