#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:56:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178761 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/15/4101529.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4101529
loop_
_publ_author_name
'Manos, Manolis J'
'Chrissafis, Konstantinos'
'Kanatzidis, Mercouri G'
_publ_section_title
;
 Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange
 capacity of the chalcogenide material K6Sn[Zn4Sn4S17].
;
_journal_issue                   27
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8875
_journal_page_last               8883
_journal_paper_doi               10.1021/ja061342t
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'Cs K (NH4)2.71 Rb1.29 S17 Sn5 Zn4'
_chemical_formula_sum            'Cs H10.84 K N2.71 Rb1.29 S17 Sn5 Zn4'
_chemical_formula_weight         1731.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.8184(4)
_cell_length_b                   13.8184(4)
_cell_length_c                   10.0456(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1918.19(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0935
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11660
_diffrn_reflns_theta_full        29.03
_diffrn_reflns_theta_max         29.03
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    9.251
_exptl_crystal_density_diffrn    2.978
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1565
_refine_diff_density_max         2.564
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.250
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.08(4)
_refine_ls_extinction_coef       0.00052(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         1328
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0280P)²+43.2753P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                1128
_reflns_number_total             1328
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja061342tsi20060224_055527.cif
_cod_data_source_block           88a2
_cod_database_code               4101529
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'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
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
Sn1 Sn 0.0000 0.0000 0.0000 0.0132(4) Uani 1 8 d S
Sn2 Sn 0.0000 0.27647(6) -0.02997(8) 0.0138(2) Uani 1 2 d S
Zn Zn 0.13827(11) 0.5000 -0.11586(15) 0.0129(3) Uani 1 2 d S
S1 S 0.0000 0.5000 -0.2500 0.0141(14) Uani 1 8 d S
S2 S 0.14170(18) 0.36499(16) 0.0237(2) 0.0189(5) Uani 1 1 d .
S3 S 0.0000 0.1444(3) 0.1332(3) 0.0252(8) Uani 1 2 d S
S4 S 0.0000 0.2196(2) -0.2530(4) 0.0214(8) Uani 1 2 d S
K K 0.0000 0.5000 0.2500 0.0230(14) Uani 1 8 d S
Rb Rb 0.2565(2) 0.2435(2) 0.2500 0.0423(17) Uani 0.323(6) 2 d SP
N N 0.2565(2) 0.2435(2) 0.2500 0.0423(17) Uani 0.68 2 d SP
Cs Cs -0.0708(7) 0.0000 -0.4637(6) 0.156(5) Uani 0.25 2 d SP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
S3 Sn1 S3 108.08(8) 4 .
S3 Sn1 S3 108.08(8) 4 2
S3 Sn1 S3 112.29(16) . 2
S3 Sn1 S3 112.29(16) 4 3
S3 Sn1 S3 108.08(8) . 3
S3 Sn1 S3 108.08(8) 2 3
S2 Sn2 S2 111.36(12) . 6
S2 Sn2 S4 112.66(7) . .
S2 Sn2 S4 112.66(7) 6 .
S2 Sn2 S3 103.42(7) . .
S2 Sn2 S3 103.42(7) 6 .
S4 Sn2 S3 112.60(12) . .
S2 Sn2 Rb 148.04(7) . 4
S2 Sn2 Rb 58.07(6) 6 4
S4 Sn2 Rb 57.348(17) . 4
S3 Sn2 Rb 108.37(6) . 4
S2 Sn2 Rb 58.07(6) . 10_554
S2 Sn2 Rb 148.04(7) 6 10_554
S4 Sn2 Rb 57.348(17) . 10_554
S3 Sn2 Rb 108.37(6) . 10_554
Rb Sn2 Rb 112.98(4) 4 10_554
S2 Zn S2 106.13(13) 5_565 .
S2 Zn S1 111.27(7) 5_565 .
S2 Zn S1 111.27(7) . .
S2 Zn S4 108.52(9) 5_565 12_554
S2 Zn S4 108.52(9) . 12_554
S1 Zn S4 110.95(10) . 12_554
S2 Zn Rb 60.73(6) 5_565 3_565
S2 Zn Rb 152.67(9) . 3_565
S1 Zn Rb 96.05(4) . 3_565
S4 Zn Rb 59.91(2) 12_554 3_565
S2 Zn Rb 152.67(9) 5_565 10_554
S2 Zn Rb 60.73(6) . 10_554
S1 Zn Rb 96.05(4) . 10_554
S4 Zn Rb 59.91(2) 12_554 10_554
Rb Zn Rb 118.99(4) 3_565 10_554
S2 Zn Cs 76.56(9) 5_565 9
S2 Zn Cs 76.56(9) . 9
S1 Zn Cs 165.62(11) . 9
S4 Zn Cs 54.67(13) 12_554 9
Rb Zn Cs 76.97(6) 3_565 9
Rb Zn Cs 76.97(6) 10_554 9
Zn S1 Zn 109.40(4) 11_454 .
Zn S1 Zn 109.61(7) 11_454 12_554
Zn S1 Zn 109.40(4) . 12_554
Zn S1 Zn 109.40(4) 11_454 2_565
Zn S1 Zn 109.61(7) . 2_565
Zn S1 Zn 109.40(4) 12_554 2_565
Zn S2 Sn2 105.02(10) . .
Zn S2 Rb 147.70(11) . .
Sn2 S2 Rb 107.24(8) . .
Zn S2 Rb 82.90(9) . 10_554
Sn2 S2 Rb 86.05(7) . 10_554
Rb S2 Rb 97.76(6) . 10_554
Zn S2 K 87.31(8) . .
Sn2 S2 K 87.76(8) . .
Rb S2 K 95.37(8) . .
Rb S2 K 166.65(9) 10_554 .
Sn1 S3 Sn2 104.22(13) . .
Sn1 S3 Cs 106.8(2) . 3
Sn2 S3 Cs 149.0(2) . 3
Sn1 S3 Rb 116.76(7) . .
Sn2 S3 Rb 86.61(7) . .
Cs S3 Rb 79.56(9) 3 .
Sn1 S3 Rb 116.76(7) . 11_455
Sn2 S3 Rb 86.61(7) . 11_455
Cs S3 Rb 79.56(9) 3 11_455
Rb S3 Rb 126.08(13) . 11_455
Zn S4 Sn2 104.53(14) 11_454 .
Zn S4 Rb 83.13(7) 11_454 10_554
Sn2 S4 Rb 86.68(6) . 10_554
Zn S4 Rb 83.13(7) 11_454 4
Sn2 S4 Rb 86.68(6) . 4
Rb S4 Rb 162.72(16) 10_554 4
Zn S4 Cs 92.00(19) 11_454 3_554
Sn2 S4 Cs 163.5(2) . 3_554
Rb S4 Cs 95.45(7) 10_554 3_554
Rb S4 Cs 95.45(7) 4 3_554
Zn S4 Cs 110.51(14) 11_454 .
Sn2 S4 Cs 141.66(15) . .
Rb S4 Cs 112.11(17) 10_554 .
Rb S4 Cs 82.60(16) 4 .
Cs S4 Cs 24.1(2) 3_554 .
Zn S4 Cs 110.51(14) 11_454 2
Sn2 S4 Cs 141.66(15) . 2
Rb S4 Cs 82.60(16) 10_554 2
Rb S4 Cs 112.11(17) 4 2
Cs S4 Cs 24.1(2) 3_554 2
Cs S4 Cs 29.6(3) . 2
S2 K S2 177.88(8) 6 12
S2 K S2 99.90(7) 6 5_565
S2 K S2 80.14(7) 12 5_565
S2 K S2 63.74(7) 6 2_565
S2 K S2 114.46(4) 12 2_565
S2 K S2 67.31(8) 5_565 2_565
S2 K S2 114.46(4) 6 16
S2 K S2 67.31(8) 12 16
S2 K S2 114.46(4) 5_565 16
S2 K S2 177.88(8) 2_565 16
S2 K S2 67.31(8) 6 .
S2 K S2 114.46(4) 12 .
S2 K S2 63.74(7) 5_565 .
S2 K S2 99.90(7) 2_565 .
S2 K S2 80.14(7) 16 .
S2 K S2 114.46(4) 6 15_455
S2 K S2 63.74(7) 12 15_455
S2 K S2 114.46(4) 5_565 15_455
S2 K S2 80.14(7) 2_565 15_455
S2 K S2 99.90(7) 16 15_455
S2 K S2 177.88(8) . 15_455
S2 K S2 80.14(7) 6 11_455
S2 K S2 99.90(7) 12 11_455
S2 K S2 177.88(8) 5_565 11_455
S2 K S2 114.46(4) 2_565 11_455
S2 K S2 63.74(7) 16 11_455
S2 K S2 114.46(4) . 11_455
S2 K S2 67.31(8) 15_455 11_455
S2 K Rb 139.93(4) 6 12
S2 K Rb 40.07(4) 12 12
S2 K Rb 40.07(4) 5_565 12
S2 K Rb 91.06(4) 2_565 12
S2 K Rb 91.06(4) 16 12
S2 K Rb 88.94(4) . 12
S2 K Rb 88.94(4) 15_455 12
S2 K Rb 139.93(4) 11_455 12
S2 K Rb 40.07(4) 6 11_455
S2 K Rb 139.93(4) 12 11_455
S2 K Rb 139.93(4) 5_565 11_455
S2 K Rb 88.94(4) 2_565 11_455
S2 K Rb 88.94(4) 16 11_455
S2 K Rb 91.06(4) . 11_455
S2 K Rb 91.06(4) 15_455 11_455
S2 K Rb 40.07(4) 11_455 11_455
Rb K Rb 180.0 12 11_455
S2 K Rb 91.06(4) 6 .
S2 K Rb 91.06(4) 12 .
S2 K Rb 88.94(4) 5_565 .
S2 K Rb 139.93(4) 2_565 .
S2 K Rb 40.07(4) 16 .
S2 K Rb 40.07(4) . .
S2 K Rb 139.93(4) 15_455 .
S2 K Rb 88.94(4) 11_455 .
Rb K Rb 90.0 12 .
Rb K Rb 90.0 11_455 .
S2 K Rb 88.94(4) 6 2_565
S2 K Rb 88.94(4) 12 2_565
S2 K Rb 91.06(4) 5_565 2_565
S2 K Rb 40.07(4) 2_565 2_565
S2 K Rb 139.93(4) 16 2_565
S2 K Rb 139.93(4) . 2_565
S2 K Rb 40.07(4) 15_455 2_565
S2 K Rb 91.06(4) 11_455 2_565
Rb K Rb 90.0 12 2_565
Rb K Rb 90.0 11_455 2_565
Rb K Rb 180.0 . 2_565
S2 Rb S2 89.13(13) . 16
S2 Rb S4 113.58(8) . 10
S2 Rb S4 116.42(7) 16 10
S2 Rb S4 116.42(7) . 3
S2 Rb S4 113.58(8) 16 3
S4 Rb S4 107.25(16) 10 3
S2 Rb S2 82.20(6) . 7
S2 Rb S2 171.32(12) 16 7
S4 Rb S2 67.83(9) 10 7
S4 Rb S2 70.58(10) 3 7
S2 Rb S2 171.32(12) . 10
S2 Rb S2 82.20(6) 16 10
S4 Rb S2 70.58(10) 10 10
S4 Rb S2 67.83(9) 3 10
S2 Rb S2 106.48(13) 7 10
S2 Rb Zn 150.53(6) . 10
S2 Rb Zn 111.88(6) 16 10
S4 Rb Zn 76.36(10) 10 10
S4 Rb Zn 36.96(7) 3 10
S2 Rb Zn 76.17(9) 7 10
S2 Rb Zn 36.38(6) 10 10
S2 Rb Zn 111.88(6) . 4_655
S2 Rb Zn 150.53(6) 16 4_655
S4 Rb Zn 36.96(7) 10 4_655
S4 Rb Zn 76.36(10) 3 4_655
S2 Rb Zn 36.38(6) 7 4_655
S2 Rb Zn 76.17(9) 10 4_655
Zn Rb Zn 58.51(7) 10 4_655
S2 Rb S3 85.05(9) . 12
S2 Rb S3 62.30(8) 16 12
S4 Rb S3 61.87(8) 10 12
S4 Rb S3 158.47(10) 3 12
S2 Rb S3 116.81(7) 7 12
S2 Rb S3 90.68(6) 10 12
Zn Rb S3 122.54(7) 10 12
Zn Rb S3 97.87(6) 4_655 12
S2 Rb S3 62.30(8) . .
S2 Rb S3 85.05(9) 16 .
S4 Rb S3 158.47(10) 10 .
S4 Rb S3 61.87(8) 3 .
S2 Rb S3 90.68(6) 7 .
S2 Rb S3 116.81(7) 10 .
Zn Rb S3 97.87(6) 10 .
Zn Rb S3 122.54(7) 4_655 .
S3 Rb S3 134.49(14) 12 .
S2 Rb Sn2 145.87(5) . 10
S2 Rb Sn2 94.66(4) 16 10
S4 Rb Sn2 35.98(7) 10 10
S4 Rb Sn2 93.02(10) 3 10
S2 Rb Sn2 92.68(9) 7 10
S2 Rb Sn2 35.89(5) 10 10
Zn Rb Sn2 56.06(5) 10 10
Zn Rb Sn2 56.31(5) 4_655 10
S3 Rb Sn2 67.18(5) 12 10
S3 Rb Sn2 151.79(8) . 10
S2 Rb Sn2 94.66(4) . 3
S2 Rb Sn2 145.87(5) 16 3
S4 Rb Sn2 93.02(10) 10 3
S4 Rb Sn2 35.98(7) 3 3
S2 Rb Sn2 35.89(5) 7 3
S2 Rb Sn2 92.68(9) 10 3
Zn Rb Sn2 56.31(5) 10 3
Zn Rb Sn2 56.06(5) 4_655 3
S3 Rb Sn2 151.79(8) 12 3
S3 Rb Sn2 67.18(5) . 3
Sn2 Rb Sn2 100.73(9) 10 3
Cs Cs Cs 77.5(4) 3_554 4_554
Cs Cs Cs 51.27(19) 3_554 2
Cs Cs Cs 51.27(19) 4_554 2
Cs Cs S3 129.0(5) 3_554 4
Cs Cs S3 129.0(5) 4_554 4
Cs Cs S3 107.03(17) 2 4
Cs Cs S4 89.4(4) 3_554 4_554
Cs Cs S4 89.4(4) 4_554 4_554
Cs Cs S4 125.86(16) 2 4_554
S3 Cs S4 127.1(3) 4 4_554
Cs Cs S4 66.5(4) 3_554 .
Cs Cs S4 126.4(3) 4_554 .
Cs Cs S4 75.19(15) 2 .
S3 Cs S4 63.00(10) 4 .
S4 Cs S4 126.73(12) 4_554 .
Cs Cs S4 126.4(3) 3_554 2
Cs Cs S4 66.5(4) 4_554 2
Cs Cs S4 75.19(15) 2 2
S3 Cs S4 63.00(10) 4 2
S4 Cs S4 126.73(12) 4_554 2
S4 Cs S4 104.92(18) . 2
Cs Cs Zn 114.8(3) 3_554 9_444
Cs Cs Zn 114.8(3) 4_554 9_444
Cs Cs Zn 159.19(10) 2 9_444
S3 Cs Zn 93.8(2) 4 9_444
S4 Cs Zn 33.33(10) 4_554 9_444
S4 Cs Zn 115.81(17) . 9_444
S4 Cs Zn 115.81(17) 2 9_444
Cs Cs Rb 170.11(10) 3_554 9_444
Cs Cs Rb 93.3(2) 4_554 9_444
Cs Cs Rb 119.93(11) 2 9_444
S3 Cs Rb 54.87(9) 4 9_444
S4 Cs Rb 94.11(17) 4_554 9_444
S4 Cs Rb 117.84(16) . 9_444
S4 Cs Rb 44.88(7) 2 9_444
Zn Cs Rb 72.13(14) 9_444 9_444
Cs Cs Rb 93.3(2) 3_554 4
Cs Cs Rb 170.11(10) 4_554 4
Cs Cs Rb 119.93(11) 2 4
S3 Cs Rb 54.87(9) 4 4
S4 Cs Rb 94.11(17) 4_554 4
S4 Cs Rb 44.88(7) . 4
S4 Cs Rb 117.84(16) 2 4
Zn Cs Rb 72.13(14) 9_444 4
Rb Cs Rb 95.68(18) 9_444 4
Cs Cs Rb 117.6(5) 3_554 2_554
Cs Cs Rb 68.9(2) 4_554 2_554
Cs Cs Rb 120.11(11) 2 2_554
S3 Cs Rb 112.99(18) 4 2_554
S4 Cs Rb 41.46(7) 4_554 2_554
S4 Cs Rb 163.8(2) . 2_554
S4 Cs Rb 85.28(7) 2 2_554
Zn Cs Rb 48.04(9) 9_444 2_554
Rb Cs Rb 60.96(7) 9_444 2_554
Rb Cs Rb 119.3(2) 4 2_554
Cs Cs Rb 68.9(2) 3_554 11_454
Cs Cs Rb 117.6(5) 4_554 11_454
Cs Cs Rb 120.11(11) 2 11_454
S3 Cs Rb 112.99(18) 4 11_454
S4 Cs Rb 41.46(7) 4_554 11_454
S4 Cs Rb 85.28(7) . 11_454
S4 Cs Rb 163.8(2) 2 11_454
Zn Cs Rb 48.04(9) 9_444 11_454
Rb Cs Rb 119.3(2) 9_444 11_454
Rb Cs Rb 60.96(7) 4 11_454
Rb Cs Rb 82.23(14) 2_554 11_454
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 S3 2.402(4) 4
Sn1 S3 2.402(4) .
Sn1 S3 2.402(4) 2
Sn1 S3 2.402(4) 3
Sn2 S2 2.371(2) .
Sn2 S2 2.371(2) 6
Sn2 S4 2.374(4) .
Sn2 S3 2.454(4) .
Sn2 Rb 4.035(3) 4
Sn2 Rb 4.035(3) 10_554
Zn S2 2.334(2) 5_565
Zn S2 2.334(2) .
Zn S1 2.3380(14) .
Zn S4 2.365(4) 12_554
Zn Rb 3.905(4) 3_565
Zn Rb 3.905(4) 10_554
Zn Cs 4.301(10) 9
S1 Zn 2.3380(14) 11_454
S1 Zn 2.3380(14) 12_554
S1 Zn 2.3380(14) 2_565
S2 Rb 3.241(4) .
S2 Rb 3.432(3) 10_554
S2 K 3.533(2) .
S3 Cs 3.472(7) 3
S3 Rb 3.977(2) .
S3 Rb 3.977(2) 11_455
S4 Zn 2.365(4) 11_454
S4 Rb 3.403(2) 10_554
S4 Rb 3.403(2) 4
S4 Cs 3.511(8) 3_554
S4 Cs 3.827(5) .
S4 Cs 3.827(5) 2
K S2 3.533(2) 6
K S2 3.533(2) 12
K S2 3.533(2) 5_565
K S2 3.533(2) 2_565
K S2 3.533(2) 16
K S2 3.533(2) 15_455
K S2 3.533(2) 11_455
K Rb 5.013(4) 12
K Rb 5.013(4) 11_455
K Rb 5.013(4) .
K Rb 5.013(4) 2_565
Rb S2 3.241(4) 16
Rb S4 3.403(2) 10
Rb S4 3.403(2) 3
Rb S2 3.432(3) 7
Rb S2 3.432(3) 10
Rb Zn 3.905(4) 10
Rb Zn 3.905(4) 4_655
Rb S3 3.977(2) 12
Rb Sn2 4.035(3) 10
Rb Sn2 4.035(3) 3
Cs Cs 1.563(14) 3_554
Cs Cs 1.563(14) 4_554
Cs Cs 1.96(2) 2
Cs S3 3.472(7) 4
Cs S4 3.511(8) 4_554
Cs S4 3.827(5) 2
Cs Zn 4.301(10) 9_444
Cs Rb 4.782(6) 9_444
Cs Rb 4.782(6) 4
Cs Rb 5.116(6) 2_554
Cs Rb 5.116(6) 11_454
