 
data_sl97 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Rb8 Sn46' 
_chemical_formula_weight          6143.50 
 
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   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Rb'  'Rb'  -0.9393   0.0000 
 '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' 
 'z, x, y' 
 'y, z, x' 
 'x, -y, -z' 
 'z, -x, -y' 
 'y, -z, -x' 
 '-x, y, -z' 
 '-z, x, -y' 
 '-y, z, -x' 
 '-x, -y, z' 
 '-z, -x, y' 
 '-y, -z, x' 
 'x+1/2, z+1/2, y+1/2' 
 'y+1/2, x+1/2, z+1/2' 
 'z+1/2, y+1/2, x+1/2' 
 'x+1/2, -z+1/2, -y+1/2' 
 'y+1/2, -x+1/2, -z+1/2' 
 'z+1/2, -y+1/2, -x+1/2' 
 '-x+1/2, z+1/2, -y+1/2' 
 '-y+1/2, x+1/2, -z+1/2' 
 '-z+1/2, y+1/2, -x+1/2' 
 '-x+1/2, -z+1/2, y+1/2' 
 '-y+1/2, -x+1/2, z+1/2' 
 '-z+1/2, -y+1/2, x+1/2' 
 '-x, -y, -z' 
 '-z, -x, -y' 
 '-y, -z, -x' 
 '-x, y, z' 
 '-z, x, y' 
 '-y, z, x' 
 'x, -y, z' 
 'z, -x, y' 
 'y, -z, x' 
 'x, y, -z' 
 'z, x, -y' 
 'y, z, -x' 
 '-x-1/2, -z-1/2, -y-1/2' 
 '-y-1/2, -x-1/2, -z-1/2' 
 '-z-1/2, -y-1/2, -x-1/2' 
 '-x-1/2, z-1/2, y-1/2' 
 '-y-1/2, x-1/2, z-1/2' 
 '-z-1/2, y-1/2, x-1/2' 
 'x-1/2, -z-1/2, y-1/2' 
 'y-1/2, -x-1/2, z-1/2' 
 'z-1/2, -y-1/2, x-1/2' 
 'x-1/2, z-1/2, -y-1/2' 
 'y-1/2, x-1/2, -z-1/2' 
 'z-1/2, y-1/2, -x-1/2' 
 
_cell_length_a                    12.0397(10) 
_cell_length_b                    12.0397(10) 
_cell_length_c                    12.0397(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      1745.2(3) 
_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     5.845 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2596 
_exptl_absorpt_coefficient_mu     21.651 
_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             2453 
_diffrn_reflns_av_R_equivalents   0.0462 
_diffrn_reflns_av_sigmaI/netI     0.0286 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          3.38 
_diffrn_reflns_theta_max          27.46 
_reflns_number_total              386 
_reflns_number_gt                 285 
_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)+(0.0231P)²+0.0000P] where P=(Fo²+2Fc²)/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        0.00021(5) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          386 
_refine_ls_number_parameters      19 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0438 
_refine_ls_R_factor_gt            0.0221 
_refine_ls_wR_factor_ref          0.0460 
_refine_ls_wR_factor_gt           0.0437 
_refine_ls_goodness_of_fit_ref    1.005 
_refine_ls_restrained_S_all       1.005 
_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 
Sn1 Sn 0.18270(3) 0.18270(3) 0.18270(3) 0.02140(17) Uani 1 3 d S . . 
Sn2 Sn 0.5000 0.2500 0.0000 0.0147(4) Uani 0.685(2) 8 d SP . . 
Sn3 Sn 0.30678(11) 0.11330(8) 0.0000 0.0176(2) Uani 0.685(2) 2 d SP . . 
Sn31 Sn 0.3489(2) 0.1351(2) 0.0000 0.0176(2) Uani 0.315(2) 2 d SP . . 
Rb1 Rb 0.0000 0.0000 0.0000 0.0211(5) Uani 1 24 d S . . 
Rb2 Rb 0.5000 0.0000 0.2500 0.0511(5) Uani 1 8 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 
Sn1 Sn3 2.7872(7) 3 ? 
Sn1 Sn3 2.7872(7) . ? 
Sn1 Sn3 2.7872(7) 2 ? 
Sn1 Sn1 2.8068(11) 37_666 ? 
Sn1 Sn31 3.0283(18) 3 ? 
Sn1 Sn31 3.0283(18) 2 ? 
Sn1 Sn31 3.0283(18) . ? 
Sn1 Rb1 3.8099(6) . ? 
Sn2 Sn31 2.285(3) 39_666 ? 
Sn2 Sn31 2.285(3) . ? 
Sn2 Sn31 2.285(3) 45_665 ? 
Sn2 Sn31 2.285(3) 28_655 ? 
Sn2 Sn3 2.8497(14) . ? 
Sn2 Sn3 2.8497(14) 39_666 ? 
Sn2 Sn3 2.8497(14) 45_665 ? 
Sn2 Sn3 2.8497(14) 28_655 ? 
Sn2 Rb2 4.2567(4) 26_665 ? 
Sn2 Rb2 4.2567(4) 25_655 ? 
Sn2 Rb2 4.2567(4) . ? 
Sn2 Rb2 4.2567(4) 2 ? 
Sn3 Sn31 0.5713(19) . ? 
Sn3 Sn3 2.728(2) 4 ? 
Sn3 Sn1 2.7872(7) 34 ? 
Sn3 Sn31 3.034(2) 4 ? 
Sn3 Rb1 3.9374(14) . ? 
Sn3 Rb2 4.0413(8) . ? 
Sn3 Rb2 4.0413(8) 25_655 ? 
Sn31 Sn1 3.0283(18) 34 ? 
Sn31 Sn3 3.034(2) 4 ? 
Sn31 Sn31 3.254(5) 4 ? 
Sn31 Rb2 3.8750(16) . ? 
Sn31 Rb2 3.8750(16) 25_655 ? 
Rb1 Sn1 3.8099(6) 25 ? 
Rb1 Sn1 3.8099(6) 34 ? 
Rb1 Sn1 3.8099(6) 10 ? 
Rb1 Sn1 3.8099(6) 4 ? 
Rb1 Sn1 3.8099(6) 28 ? 
Rb1 Sn1 3.8099(6) 7 ? 
Rb1 Sn1 3.8099(6) 31 ? 
Rb1 Sn3 3.9374(14) 27 ? 
Rb1 Sn3 3.9374(14) 25 ? 
Rb1 Sn3 3.9374(14) 2 ? 
Rb2 Sn31 3.8750(16) 17 ? 
Rb2 Sn31 3.8750(16) 4 ? 
Rb2 Sn31 3.8750(16) 38_666 ? 
Rb2 Sn31 3.8750(16) 14_545 ? 
Rb2 Sn31 3.8750(16) 25_655 ? 
Rb2 Sn31 3.8750(16) 41_656 ? 
Rb2 Sn31 3.8750(16) 28_655 ? 
Rb2 Sn3 4.0413(8) 4 ? 
Rb2 Sn3 4.0413(8) 17 ? 
Rb2 Sn3 4.0413(8) 38_666 ? 
 
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 
Sn3 Sn1 Sn3 110.31(3) 3 . ? 
Sn3 Sn1 Sn3 110.31(3) 3 2 ? 
Sn3 Sn1 Sn3 110.31(3) . 2 ? 
Sn3 Sn1 Sn1 108.62(3) 3 37_666 ? 
Sn3 Sn1 Sn1 108.62(3) . 37_666 ? 
Sn3 Sn1 Sn1 108.62(3) 2 37_666 ? 
Sn3 Sn1 Sn31 10.23(3) 3 3 ? 
Sn3 Sn1 Sn31 113.90(5) . 3 ? 
Sn3 Sn1 Sn31 115.99(6) 2 3 ? 
Sn1 Sn1 Sn31 98.45(5) 37_666 3 ? 
Sn3 Sn1 Sn31 113.90(5) 3 2 ? 
Sn3 Sn1 Sn31 115.99(6) . 2 ? 
Sn3 Sn1 Sn31 10.23(3) 2 2 ? 
Sn1 Sn1 Sn31 98.45(5) 37_666 2 ? 
Sn31 Sn1 Sn31 117.88(2) 3 2 ? 
Sn3 Sn1 Sn31 115.99(6) 3 . ? 
Sn3 Sn1 Sn31 10.23(3) . . ? 
Sn3 Sn1 Sn31 113.90(5) 2 . ? 
Sn1 Sn1 Sn31 98.45(5) 37_666 . ? 
Sn31 Sn1 Sn31 117.88(2) 3 . ? 
Sn31 Sn1 Sn31 117.88(2) 2 . ? 
Sn3 Sn1 Rb1 71.38(3) 3 . ? 
Sn3 Sn1 Rb1 71.38(3) . . ? 
Sn3 Sn1 Rb1 71.38(3) 2 . ? 
Sn1 Sn1 Rb1 180.00(3) 37_666 . ? 
Sn31 Sn1 Rb1 81.55(5) 3 . ? 
Sn31 Sn1 Rb1 81.55(5) 2 . ? 
Sn31 Sn1 Rb1 81.55(5) . . ? 
Sn31 Sn2 Sn31 111.48(6) 39_666 . ? 
Sn31 Sn2 Sn31 105.51(12) 39_666 45_665 ? 
Sn31 Sn2 Sn31 111.48(6) . 45_665 ? 
Sn31 Sn2 Sn31 111.48(6) 39_666 28_655 ? 
Sn31 Sn2 Sn31 105.51(12) . 28_655 ? 
Sn31 Sn2 Sn31 111.48(6) 45_665 28_655 ? 
Sn31 Sn2 Sn3 110.46(3) 39_666 . ? 
Sn31 Sn2 Sn3 1.96(7) . . ? 
Sn31 Sn2 Sn3 110.46(3) 45_665 . ? 
Sn31 Sn2 Sn3 107.48(5) 28_655 . ? 
Sn31 Sn2 Sn3 1.96(7) 39_666 39_666 ? 
Sn31 Sn2 Sn3 110.46(3) . 39_666 ? 
Sn31 Sn2 Sn3 107.48(5) 45_665 39_666 ? 
Sn31 Sn2 Sn3 110.46(3) 28_655 39_666 ? 
Sn3 Sn2 Sn3 109.486(19) . 39_666 ? 
Sn31 Sn2 Sn3 107.48(5) 39_666 45_665 ? 
Sn31 Sn2 Sn3 110.46(3) . 45_665 ? 
Sn31 Sn2 Sn3 1.96(7) 45_665 45_665 ? 
Sn31 Sn2 Sn3 110.46(3) 28_655 45_665 ? 
Sn3 Sn2 Sn3 109.486(19) . 45_665 ? 
Sn3 Sn2 Sn3 109.44(4) 39_666 45_665 ? 
Sn31 Sn2 Sn3 110.46(3) 39_666 28_655 ? 
Sn31 Sn2 Sn3 107.48(5) . 28_655 ? 
Sn31 Sn2 Sn3 110.46(3) 45_665 28_655 ? 
Sn31 Sn2 Sn3 1.96(7) 28_655 28_655 ? 
Sn3 Sn2 Sn3 109.44(4) . 28_655 ? 
Sn3 Sn2 Sn3 109.486(19) 39_666 28_655 ? 
Sn3 Sn2 Sn3 109.486(19) 45_665 28_655 ? 
Sn31 Sn2 Rb2 64.66(4) 39_666 26_665 ? 
Sn31 Sn2 Rb2 172.24(6) . 26_665 ? 
Sn31 Sn2 Rb2 64.66(4) 45_665 26_665 ? 
Sn31 Sn2 Rb2 82.24(6) 28_655 26_665 ? 
Sn3 Sn2 Rb2 170.279(18) . 26_665 ? 
Sn3 Sn2 Rb2 65.896(12) 39_666 26_665 ? 
Sn3 Sn2 Rb2 65.896(12) 45_665 26_665 ? 
Sn3 Sn2 Rb2 80.279(18) 28_655 26_665 ? 
Sn31 Sn2 Rb2 172.24(6) 39_666 25_655 ? 
Sn31 Sn2 Rb2 64.66(4) . 25_655 ? 
Sn31 Sn2 Rb2 82.24(6) 45_665 25_655 ? 
Sn31 Sn2 Rb2 64.66(4) 28_655 25_655 ? 
Sn3 Sn2 Rb2 65.896(12) . 25_655 ? 
Sn3 Sn2 Rb2 170.279(18) 39_666 25_655 ? 
Sn3 Sn2 Rb2 80.279(18) 45_665 25_655 ? 
Sn3 Sn2 Rb2 65.896(12) 28_655 25_655 ? 
Rb2 Sn2 Rb2 120.0 26_665 25_655 ? 
Sn31 Sn2 Rb2 82.24(6) 39_666 . ? 
Sn31 Sn2 Rb2 64.66(4) . . ? 
Sn31 Sn2 Rb2 172.24(6) 45_665 . ? 
Sn31 Sn2 Rb2 64.66(4) 28_655 . ? 
Sn3 Sn2 Rb2 65.896(12) . . ? 
Sn3 Sn2 Rb2 80.279(18) 39_666 . ? 
Sn3 Sn2 Rb2 170.279(18) 45_665 . ? 
Sn3 Sn2 Rb2 65.896(12) 28_655 . ? 
Rb2 Sn2 Rb2 120.0 26_665 . ? 
Rb2 Sn2 Rb2 90.0 25_655 . ? 
Sn31 Sn2 Rb2 64.66(4) 39_666 2 ? 
Sn31 Sn2 Rb2 82.24(6) . 2 ? 
Sn31 Sn2 Rb2 64.66(4) 45_665 2 ? 
Sn31 Sn2 Rb2 172.24(6) 28_655 2 ? 
Sn3 Sn2 Rb2 80.279(18) . 2 ? 
Sn3 Sn2 Rb2 65.896(12) 39_666 2 ? 
Sn3 Sn2 Rb2 65.896(12) 45_665 2 ? 
Sn3 Sn2 Rb2 170.279(18) 28_655 2 ? 
Rb2 Sn2 Rb2 90.0 26_665 2 ? 
Rb2 Sn2 Rb2 120.0 25_655 2 ? 
Rb2 Sn2 Rb2 120.0 . 2 ? 
Sn31 Sn3 Sn3 117.4(3) . 4 ? 
Sn31 Sn3 Sn1 109.75(17) . 34 ? 
Sn3 Sn3 Sn1 107.45(2) 4 34 ? 
Sn31 Sn3 Sn1 109.75(17) . . ? 
Sn3 Sn3 Sn1 107.45(2) 4 . ? 
Sn1 Sn3 Sn1 104.22(4) 34 . ? 
Sn31 Sn3 Sn2 7.9(3) . . ? 
Sn3 Sn3 Sn2 125.279(18) 4 . ? 
Sn1 Sn3 Sn2 105.33(3) 34 . ? 
Sn1 Sn3 Sn2 105.33(3) . . ? 
Sn31 Sn3 Sn31 107.8(3) . 4 ? 
Sn3 Sn3 Sn31 9.62(4) 4 4 ? 
Sn1 Sn3 Sn31 112.66(2) 34 4 ? 
Sn1 Sn3 Sn31 112.66(2) . 4 ? 
Sn2 Sn3 Sn31 115.65(5) . 4 ? 
Sn31 Sn3 Rb1 172.9(3) . . ? 
Sn3 Sn3 Rb1 69.730(13) 4 . ? 
Sn1 Sn3 Rb1 66.49(3) 34 . ? 
Sn1 Sn3 Rb1 66.49(3) . . ? 
Sn2 Sn3 Rb1 164.99(3) . . ? 
Sn31 Sn3 Rb1 79.35(3) 4 . ? 
Sn31 Sn3 Rb2 69.16(18) . . ? 
Sn3 Sn3 Rb2 70.273(15) 4 . ? 
Sn1 Sn3 Rb2 175.96(3) 34 . ? 
Sn1 Sn3 Rb2 79.742(8) . . ? 
Sn2 Sn3 Rb2 74.04(2) . . ? 
Sn31 Sn3 Rb2 64.59(3) 4 . ? 
Rb1 Sn3 Rb2 115.03(2) . . ? 
Sn31 Sn3 Rb2 69.16(18) . 25_655 ? 
Sn3 Sn3 Rb2 70.273(15) 4 25_655 ? 
Sn1 Sn3 Rb2 79.742(8) 34 25_655 ? 
Sn1 Sn3 Rb2 175.96(3) . 25_655 ? 
Sn2 Sn3 Rb2 74.04(2) . 25_655 ? 
Sn31 Sn3 Rb2 64.59(3) 4 25_655 ? 
Rb1 Sn3 Rb2 115.03(2) . 25_655 ? 
Rb2 Sn3 Rb2 96.28(2) . 25_655 ? 
Sn3 Sn31 Sn2 170.2(4) . . ? 
Sn3 Sn31 Sn1 60.02(16) . 34 ? 
Sn2 Sn31 Sn1 114.31(7) . 34 ? 
Sn3 Sn31 Sn1 60.02(16) . . ? 
Sn2 Sn31 Sn1 114.31(7) . . ? 
Sn1 Sn31 Sn1 93.16(7) 34 . ? 
Sn3 Sn31 Sn3 53.0(3) . 4 ? 
Sn2 Sn31 Sn3 136.87(10) . 4 ? 
Sn1 Sn31 Sn3 94.36(5) 34 4 ? 
Sn1 Sn31 Sn3 94.36(5) . 4 ? 
Sn3 Sn31 Sn31 62.6(3) . 4 ? 
Sn2 Sn31 Sn31 127.24(6) . 4 ? 
Sn1 Sn31 Sn31 100.90(5) 34 4 ? 
Sn1 Sn31 Sn31 100.90(5) . 4 ? 
Sn3 Sn31 Sn31 9.62(4) 4 4 ? 
Sn3 Sn31 Rb2 102.92(19) . . ? 
Sn2 Sn31 Rb2 83.13(5) . . ? 
Sn1 Sn31 Rb2 162.51(9) 34 . ? 
Sn1 Sn31 Rb2 79.944(13) . . ? 
Sn3 Sn31 Rb2 70.40(4) 4 . ? 
Sn31 Sn31 Rb2 65.17(4) 4 . ? 
Sn3 Sn31 Rb2 102.92(19) . 25_655 ? 
Sn2 Sn31 Rb2 83.13(5) . 25_655 ? 
Sn1 Sn31 Rb2 79.944(13) 34 25_655 ? 
Sn1 Sn31 Rb2 162.51(9) . 25_655 ? 
Sn3 Sn31 Rb2 70.40(4) 4 25_655 ? 
Sn31 Sn31 Rb2 65.17(4) 4 25_655 ? 
Rb2 Sn31 Rb2 101.93(6) . 25_655 ? 
Sn1 Rb1 Sn1 180.000(16) 25 . ? 
Sn1 Rb1 Sn1 109.5 25 34 ? 
Sn1 Rb1 Sn1 70.5 . 34 ? 
Sn1 Rb1 Sn1 70.5 25 10 ? 
Sn1 Rb1 Sn1 109.5 . 10 ? 
Sn1 Rb1 Sn1 180.00(2) 34 10 ? 
Sn1 Rb1 Sn1 70.5 25 4 ? 
Sn1 Rb1 Sn1 109.5 . 4 ? 
Sn1 Rb1 Sn1 70.5 34 4 ? 
Sn1 Rb1 Sn1 109.5 10 4 ? 
Sn1 Rb1 Sn1 109.5 25 28 ? 
Sn1 Rb1 Sn1 70.5 . 28 ? 
Sn1 Rb1 Sn1 109.5 34 28 ? 
Sn1 Rb1 Sn1 70.5 10 28 ? 
Sn1 Rb1 Sn1 180.000(16) 4 28 ? 
Sn1 Rb1 Sn1 70.5 25 7 ? 
Sn1 Rb1 Sn1 109.5 . 7 ? 
Sn1 Rb1 Sn1 70.5 34 7 ? 
Sn1 Rb1 Sn1 109.5 10 7 ? 
Sn1 Rb1 Sn1 109.5 4 7 ? 
Sn1 Rb1 Sn1 70.5 28 7 ? 
Sn1 Rb1 Sn1 109.5 25 31 ? 
Sn1 Rb1 Sn1 70.5 . 31 ? 
Sn1 Rb1 Sn1 109.5 34 31 ? 
Sn1 Rb1 Sn1 70.5 10 31 ? 
Sn1 Rb1 Sn1 70.5 4 31 ? 
Sn1 Rb1 Sn1 109.5 28 31 ? 
Sn1 Rb1 Sn1 180.00(2) 7 31 ? 
Sn1 Rb1 Sn3 42.131(7) 25 27 ? 
Sn1 Rb1 Sn3 137.869(7) . 27 ? 
Sn1 Rb1 Sn3 70.027(11) 34 27 ? 
Sn1 Rb1 Sn3 109.973(11) 10 27 ? 
Sn1 Rb1 Sn3 70.027(11) 4 27 ? 
Sn1 Rb1 Sn3 109.973(11) 28 27 ? 
Sn1 Rb1 Sn3 42.131(7) 7 27 ? 
Sn1 Rb1 Sn3 137.869(7) 31 27 ? 
Sn1 Rb1 Sn3 137.869(7) 25 . ? 
Sn1 Rb1 Sn3 42.131(7) . . ? 
Sn1 Rb1 Sn3 42.131(7) 34 . ? 
Sn1 Rb1 Sn3 137.869(7) 10 . ? 
Sn1 Rb1 Sn3 70.027(11) 4 . ? 
Sn1 Rb1 Sn3 109.973(11) 28 . ? 
Sn1 Rb1 Sn3 109.973(11) 7 . ? 
Sn1 Rb1 Sn3 70.027(11) 31 . ? 
Sn3 Rb1 Sn3 108.965(11) 27 . ? 
Sn1 Rb1 Sn3 42.131(7) 25 25 ? 
Sn1 Rb1 Sn3 137.869(7) . 25 ? 
Sn1 Rb1 Sn3 137.869(7) 34 25 ? 
Sn1 Rb1 Sn3 42.131(7) 10 25 ? 
Sn1 Rb1 Sn3 109.973(11) 4 25 ? 
Sn1 Rb1 Sn3 70.027(11) 28 25 ? 
Sn1 Rb1 Sn3 70.027(11) 7 25 ? 
Sn1 Rb1 Sn3 109.973(11) 31 25 ? 
Sn3 Rb1 Sn3 71.035(11) 27 25 ? 
Sn3 Rb1 Sn3 180.00(3) . 25 ? 
Sn1 Rb1 Sn3 137.869(7) 25 2 ? 
Sn1 Rb1 Sn3 42.131(7) . 2 ? 
Sn1 Rb1 Sn3 70.027(11) 34 2 ? 
Sn1 Rb1 Sn3 109.973(11) 10 2 ? 
Sn1 Rb1 Sn3 137.869(7) 4 2 ? 
Sn1 Rb1 Sn3 42.131(7) 28 2 ? 
Sn1 Rb1 Sn3 70.027(11) 7 2 ? 
Sn1 Rb1 Sn3 109.973(11) 31 2 ? 
Sn3 Rb1 Sn3 108.965(11) 27 2 ? 
Sn3 Rb1 Sn3 71.035(11) . 2 ? 
Sn3 Rb1 Sn3 108.965(11) 25 2 ? 
Sn31 Rb2 Sn31 175.98(8) 17 4 ? 
Sn31 Rb2 Sn31 49.65(7) 17 38_666 ? 
Sn31 Rb2 Sn31 127.11(3) 4 38_666 ? 
Sn31 Rb2 Sn31 127.11(3) 17 . ? 
Sn31 Rb2 Sn31 49.65(7) 4 . ? 
Sn31 Rb2 Sn31 102.07(6) 38_666 . ? 
Sn31 Rb2 Sn31 56.00(7) 17 14_545 ? 
Sn31 Rb2 Sn31 127.11(3) 4 14_545 ? 
Sn31 Rb2 Sn31 78.07(6) 38_666 14_545 ? 
Sn31 Rb2 Sn31 175.98(8) . 14_545 ? 
Sn31 Rb2 Sn31 127.11(3) 17 25_655 ? 
Sn31 Rb2 Sn31 56.00(7) 4 25_655 ? 
Sn31 Rb2 Sn31 175.98(8) 38_666 25_655 ? 
Sn31 Rb2 Sn31 78.07(6) . 25_655 ? 
Sn31 Rb2 Sn31 102.07(6) 14_545 25_655 ? 
Sn31 Rb2 Sn31 78.07(6) 17 41_656 ? 
Sn31 Rb2 Sn31 102.07(6) 4 41_656 ? 
Sn31 Rb2 Sn31 56.00(7) 38_666 41_656 ? 
Sn31 Rb2 Sn31 127.11(3) . 41_656 ? 
Sn31 Rb2 Sn31 49.65(7) 14_545 41_656 ? 
Sn31 Rb2 Sn31 127.11(3) 25_655 41_656 ? 
Sn31 Rb2 Sn31 102.07(6) 17 28_655 ? 
Sn31 Rb2 Sn31 78.07(6) 4 28_655 ? 
Sn31 Rb2 Sn31 127.11(3) 38_666 28_655 ? 
Sn31 Rb2 Sn31 56.00(7) . 28_655 ? 
Sn31 Rb2 Sn31 127.11(3) 14_545 28_655 ? 
Sn31 Rb2 Sn31 49.65(7) 25_655 28_655 ? 
Sn31 Rb2 Sn31 175.98(8) 41_656 28_655 ? 
Sn31 Rb2 Sn3 168.14(5) 17 4 ? 
Sn31 Rb2 Sn3 7.92(3) 4 4 ? 
Sn31 Rb2 Sn3 119.69(3) 38_666 4 ? 
Sn31 Rb2 Sn3 45.01(4) . 4 ? 
Sn31 Rb2 Sn3 131.43(3) 14_545 4 ? 
Sn31 Rb2 Sn3 63.26(5) 25_655 4 ? 
Sn31 Rb2 Sn3 100.27(3) 41_656 4 ? 
Sn31 Rb2 Sn3 80.41(3) 28_655 4 ? 
Sn31 Rb2 Sn3 7.92(3) 17 17 ? 
Sn31 Rb2 Sn3 168.14(5) 4 17 ? 
Sn31 Rb2 Sn3 45.01(4) 38_666 17 ? 
Sn31 Rb2 Sn3 119.69(3) . 17 ? 
Sn31 Rb2 Sn3 63.26(5) 14_545 17 ? 
Sn31 Rb2 Sn3 131.43(3) 25_655 17 ? 
Sn31 Rb2 Sn3 80.41(3) 41_656 17 ? 
Sn31 Rb2 Sn3 100.27(3) 28_655 17 ? 
Sn3 Rb2 Sn3 160.61(4) 4 17 ? 
Sn31 Rb2 Sn3 131.43(3) 17 . ? 
Sn31 Rb2 Sn3 45.01(4) 4 . ? 
Sn31 Rb2 Sn3 100.27(3) 38_666 . ? 
Sn31 Rb2 Sn3 7.92(3) . . ? 
Sn31 Rb2 Sn3 168.14(5) 14_545 . ? 
Sn31 Rb2 Sn3 80.41(3) 25_655 . ? 
Sn31 Rb2 Sn3 119.69(3) 41_656 . ? 
Sn31 Rb2 Sn3 63.26(5) 28_655 . ? 
Sn3 Rb2 Sn3 39.45(3) 4 . ? 
Sn3 Rb2 Sn3 123.691(13) 17 . ? 
Sn31 Rb2 Sn3 45.01(4) 17 38_666 ? 
Sn31 Rb2 Sn3 131.43(3) 4 38_666 ? 
Sn31 Rb2 Sn3 7.92(3) 38_666 38_666 ? 
Sn31 Rb2 Sn3 100.27(3) . 38_666 ? 
Sn31 Rb2 Sn3 80.41(3) 14_545 38_666 ? 
Sn31 Rb2 Sn3 168.14(5) 25_655 38_666 ? 
Sn31 Rb2 Sn3 63.26(5) 41_656 38_666 ? 
Sn31 Rb2 Sn3 119.69(3) 28_655 38_666 ? 
Sn3 Rb2 Sn3 123.691(13) 4 38_666 ? 
Sn3 Rb2 Sn3 39.45(3) 17 38_666 ? 
Sn3 Rb2 Sn3 99.56(2) . 38_666 ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              27.46 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.699 
_refine_diff_density_min   -0.848 
_refine_diff_density_rms    0.202 
