#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/58/4305889.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_4305889
loop_
_publ_author_name
'Felicitas Lips'
'Stefanie Dehnen'
_publ_section_title
;
One-Size Adjustable-Gap Cluster Anions: Systematic Approach to Multinary,
Water-Soluble Chalcogenidometalate Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5561
_journal_page_last               5563
_journal_paper_doi               10.1021/ic8008199
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C2 H45 K10 Mn4 O20.5 Se10.6 Sn4 Te6.4'
_chemical_formula_weight         3136.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 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            4
_cell_length_a                   15.713(2)
_cell_length_b                   15.713(2)
_cell_length_c                   26.025(5)
_cell_measurement_temperature    200(2)
_cell_volume                     6425.5(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0944
_diffrn_reflns_av_sigmaI/netI    0.1027
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            21772
_diffrn_reflns_theta_full        25.89
_diffrn_reflns_theta_max         25.89
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    11.836
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    3.242
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-shaped
_exptl_crystal_F_000             5617
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.354
_refine_diff_density_min         -0.352
_refine_diff_density_rms         0.049
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         6239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0412P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1054
_reflns_number_gt                4358
_reflns_number_total             6239
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8008199-file001_4.cif
_cod_data_source_block           K10Mn4Sn4Se10.6Te6.4_compound_4
_cod_original_cell_volume        6425.6(18)
_cod_original_formula_sum        'C2 H45 K10 Mn4 O20.50 Se10.60 Sn4 Te6.40'
_cod_database_code               4305889
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.70969(8) 0.49765(7) 0.09652(4) 0.0462(6) Uani 1 1 d . . .
Sn2 Sn 0.92856(7) 0.70687(8) -0.08715(4) 0.0464(6) Uani 1 1 d . . .
Te1 Te 0.70425(9) 0.35692(8) 0.15579(5) 0.0610(6) Uani 1 1 d . . .
Te2 Te 1.07377(9) 0.70176(10) -0.14185(5) 0.0705(6) Uani 1 1 d . . .
Se3 Se 0.56264(11) 0.56703(11) 0.09959(6) 0.0531(6) Uani 0.90 1 d P . .
Te3 Te 0.56264(11) 0.56703(11) 0.09959(6) 0.0531(6) Uani 0.10 1 d P . .
Se4 Se 0.74562(12) 0.44601(10) 0.00439(6) 0.0558(7) Uani 0.90 1 d P . .
Te4 Te 0.74562(12) 0.44601(10) 0.00439(6) 0.0558(7) Uani 0.10 1 d P . .
Se5 Se 0.82134(10) 0.60075(10) 0.13404(5) 0.0500(6) Uani 0.80 1 d P . .
Te5 Te 0.82134(10) 0.60075(10) 0.13404(5) 0.0500(6) Uani 0.20 1 d P . .
Se6 Se 0.86128(11) 0.85348(11) -0.10594(5) 0.0546(6) Uani 0.70 1 d P . .
Te6 Te 0.86128(11) 0.85348(11) -0.10594(5) 0.0546(6) Uani 0.30 1 d P . .
Se7 Se 0.83750(10) 0.58142(10) -0.11930(5) 0.0526(6) Uani 0.70 1 d P . .
Te7 Te 0.83750(10) 0.58142(10) -0.11930(5) 0.0526(6) Uani 0.30 1 d P . .
Se8 Se 0.97373(10) 0.68815(11) 0.00628(6) 0.0529(6) Uani 0.80 1 d P . .
Te8 Te 0.97373(10) 0.68815(11) 0.00628(6) 0.0529(6) Uani 0.20 1 d P . .
Se9 Se 0.71227(11) 0.71227(11) 0.0000 0.0464(7) Uani 1 2 d S . .
Mn1 Mn 0.71293(18) 0.57786(16) -0.05372(9) 0.0490(7) Uani 1 1 d . . .
Mn2 Mn 0.83863(15) 0.71312(18) 0.06070(8) 0.0477(8) Uani 1 1 d . . .
K1 K 0.9455(3) 0.9455(3) 0.0000 0.0704(17) Uani 1 2 d S . .
K2A K 0.4726(8) 0.4726(8) 0.0000 0.215(6) Uiso 0.60 2 d SP . .
K2B K 0.412(3) 0.526(3) 0.0079(16) 0.236(15) Uiso 0.40 1 d P . .
K3 K 0.4708(3) 0.9577(3) 0.02514(16) 0.0698(12) Uani 1 1 d . . .
K4 K 0.7645(3) 0.7343(3) -0.20098(15) 0.0622(12) Uiso 1 1 d . . .
K5 K 0.5599(12) 0.1438(12) -0.0030(7) 0.147(6) Uiso 0.50 1 d P . .
K6A K 0.9387(5) 1.2018(5) 0.0377(3) 0.0588(19) Uiso 0.62 1 d P . .
K6B K 0.9562(13) 1.2065(14) 0.0222(8) 0.101(6) Uiso 0.38 1 d P . .
O1 O 0.3308(9) 1.0564(9) -0.0061(5) 0.077(4) Uiso 1 1 d . . .
O2 O 1.0685(11) 1.0685(11) 0.0000 0.091(6) Uiso 1 2 d S . .
O4 O 0.4780(9) 0.9779(9) -0.0811(5) 0.072(4) Uiso 1 1 d . . .
O5 O 0.3385(18) 0.5740(18) 0.0179(9) 0.149(8) Uiso 1 1 d . . .
O6A O 0.4349(15) 0.3957(15) 0.1237(9) 0.096(7) Uiso 0.75 1 d P . .
O6B O 0.926(2) 1.081(2) 0.0927(14) 0.037(8) Uiso 0.25 1 d P . .
O7A O 0.5421(9) 0.2691(10) 0.0720(5) 0.049(4) Uiso 1 1 d . . .
O7B O 0.5541(9) 0.2455(9) 0.0757(5) 0.041(4) Uiso 1 1 d . . .
O8A O 0.312(3) 0.312(3) 0.0000 0.16(2) Uiso 0.50 2 d SP . .
O8B O 0.414(4) 0.313(4) -0.005(2) 0.077(16) Uiso 0.25 1 d P . .
O8C O 0.389(5) 0.281(5) 0.015(3) 0.10(2) Uiso 0.25 1 d P . .
O9 O 0.7305(8) 0.7230(9) -0.3018(5) 0.068(3) Uiso 1 1 d . . .
O10 O 0.5723(11) 0.8188(11) -0.3660(6) 0.096(5) Uiso 1 1 d . . .
CL12 C 1.0989(13) 0.8544(13) 0.0328(7) 0.044(4) Uiso 1 1 d . . .
OL12 O 1.094(4) 0.862(4) 0.031(2) 0.26(2) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
Te Te -0.5308 1.6751 '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
_geom_angle_publ_flag
Se3 Sn1 Se5 109.58(7) . . ?
Se3 Sn1 Se4 111.05(7) . . ?
Se5 Sn1 Se4 113.48(7) . . ?
Se3 Sn1 Te1 107.64(6) . . ?
Se5 Sn1 Te1 108.65(6) . . ?
Se4 Sn1 Te1 106.21(6) . . ?
Se8 Sn2 Se7 112.10(6) . . ?
Se8 Sn2 Se6 113.42(6) . . ?
Se7 Sn2 Se6 113.20(6) . . ?
Se8 Sn2 Te2 105.37(6) . . ?
Se7 Sn2 Te2 106.05(6) . . ?
Se6 Sn2 Te2 105.88(6) . . ?
Se8 Sn2 K4 155.40(8) . . ?
Se7 Sn2 K4 58.48(7) . . ?
Se6 Sn2 K4 59.57(7) . . ?
Te2 Sn2 K4 99.20(7) . . ?
Se8 Sn2 K3 59.04(7) . 7 ?
Se7 Sn2 K3 59.60(8) . 7 ?
Se6 Sn2 K3 159.12(9) . 7 ?
Te2 Sn2 K3 95.00(9) . 7 ?
K4 Sn2 K3 118.04(9) . 7 ?
Sn2 Te2 K5 85.1(3) . 5_654 ?
Sn1 Se3 Mn1 106.20(8) . 7 ?
Sn1 Se3 K2A 99.85(9) . . ?
Mn1 Se3 K2A 94.3(2) 7 . ?
Sn1 Se3 K2B 121.5(7) . . ?
Mn1 Se3 K2B 84.8(7) 7 . ?
K2A Se3 K2B 21.9(7) . . ?
Sn1 Se3 K2B 80.8(7) . 7 ?
Mn1 Se3 K2B 104.1(7) 7 7 ?
K2A Se3 K2B 19.6(7) . 7 ?
K2B Se3 K2B 41.5(14) . 7 ?
Sn1 Se4 Mn1 104.12(8) . . ?
Sn1 Se4 K3 112.44(10) . 7 ?
Mn1 Se4 K3 88.36(11) . 7 ?
Sn1 Se4 K2B 85.3(7) . 7 ?
Mn1 Se4 K2B 82.7(7) . 7 ?
K3 Se4 K2B 161.8(7) 7 7 ?
Sn1 Se4 K4 129.41(9) . 5_644 ?
Mn1 Se4 K4 119.92(10) . 5_644 ?
K3 Se4 K4 93.50(11) 7 5_644 ?
K2B Se4 K4 77.4(7) 7 5_644 ?
Sn1 Se5 Mn2 102.61(8) . . ?
Sn1 Se5 K4 113.33(9) . 7 ?
Mn2 Se5 K4 84.53(10) . 7 ?
Sn1 Se5 K3 123.64(10) . 6_565 ?
Mn2 Se5 K3 127.46(11) . 6_565 ?
K4 Se5 K3 97.15(12) 7 6_565 ?
Sn2 Se6 Mn2 101.50(8) . 7 ?
Sn2 Se6 K1 93.84(6) . . ?
Mn2 Se6 K1 91.11(10) 7 . ?
Sn2 Se6 K4 80.33(8) . . ?
Mn2 Se6 K4 83.24(10) 7 . ?
K1 Se6 K4 170.86(12) . . ?
Sn2 Se7 Mn1 102.81(8) . . ?
Sn2 Se7 K4 81.39(9) . . ?
Mn1 Se7 K4 99.88(10) . . ?
Sn2 Se7 K3 81.65(9) . 7 ?
Mn1 Se7 K3 86.38(11) . 7 ?
K4 Se7 K3 162.84(12) . 7 ?
Sn2 Se7 K5 81.5(3) . 5_654 ?
Mn1 Se7 K5 153.5(3) . 5_654 ?
K4 Se7 K5 54.4(3) . 5_654 ?
K3 Se7 K5 120.1(3) 7 5_654 ?
Sn2 Se8 Mn2 106.06(8) . . ?
Sn2 Se8 K5 105.5(3) . 7_655 ?
Mn2 Se8 K5 139.6(3) . 7_655 ?
Sn2 Se8 K3 82.56(8) . 7 ?
Mn2 Se8 K3 102.48(11) . 7 ?
K5 Se8 K3 57.8(3) 7_655 7 ?
Mn1 Se9 Mn1 108.15(16) . 7 ?
Mn1 Se9 Mn2 107.99(7) . 7 ?
Mn1 Se9 Mn2 110.17(9) 7 7 ?
Mn1 Se9 Mn2 110.17(9) . . ?
Mn1 Se9 Mn2 107.99(7) 7 . ?
Mn2 Se9 Mn2 112.29(15) 7 . ?
Se9 Mn1 Te3 109.09(11) . 7 ?
Se9 Mn1 Se7 110.35(12) . . ?
Te3 Mn1 Se7 111.42(10) 7 . ?
Se9 Mn1 Se3 109.09(11) . 7 ?
Te3 Mn1 Se3 0.00(10) 7 7 ?
Se7 Mn1 Se3 111.42(10) . 7 ?
Se9 Mn1 Se4 110.01(9) . . ?
Te3 Mn1 Se4 111.49(11) 7 . ?
Se7 Mn1 Se4 104.41(11) . . ?
Se3 Mn1 Se4 111.49(11) 7 . ?
Se9 Mn1 K2B 111.4(6) . 7 ?
Te3 Mn1 K2B 56.1(6) 7 7 ?
Se7 Mn1 K2B 138.1(6) . 7 ?
Se3 Mn1 K2B 56.1(6) 7 7 ?
Se4 Mn1 K2B 58.0(6) . 7 ?
Se9 Mn2 Se8 107.52(9) . . ?
Se9 Mn2 Se5 111.69(11) . . ?
Se8 Mn2 Se5 112.54(11) . . ?
Se9 Mn2 Te6 110.75(11) . 7 ?
Se8 Mn2 Te6 107.96(10) . 7 ?
Se5 Mn2 Te6 106.34(9) . 7 ?
Se9 Mn2 Se6 110.75(11) . 7 ?
Se8 Mn2 Se6 107.96(10) . 7 ?
Se5 Mn2 Se6 106.34(9) . 7 ?
Te6 Mn2 Se6 0.00(6) 7 7 ?
Se9 Mn2 K4 104.09(9) . 7 ?
Se8 Mn2 K4 148.30(11) . 7 ?
Se5 Mn2 K4 55.87(8) . 7 ?
Te6 Mn2 K4 57.19(8) 7 7 ?
Se6 Mn2 K4 57.19(8) 7 7 ?
O2 K1 OL12 75.1(13) . . ?
O2 K1 OL12 75.1(13) . 7 ?
OL12 K1 OL12 150(3) . 7 ?
O2 K1 CL12 76.3(4) . 7 ?
OL12 K1 CL12 151.4(11) . 7 ?
OL12 K1 CL12 1.3(15) 7 7 ?
O2 K1 CL12 76.3(4) . . ?
OL12 K1 CL12 1.3(15) . . ?
OL12 K1 CL12 151.4(11) 7 . ?
CL12 K1 CL12 152.6(8) 7 . ?
O2 K1 O6B 66.6(7) . . ?
OL12 K1 O6B 99.8(13) . . ?
OL12 K1 O6B 68.0(13) 7 . ?
CL12 K1 O6B 68.3(7) 7 . ?
CL12 K1 O6B 100.5(8) . . ?
O2 K1 O6B 66.6(7) . 7 ?
OL12 K1 O6B 68.0(13) . 7 ?
OL12 K1 O6B 99.8(13) 7 7 ?
CL12 K1 O6B 100.5(7) 7 7 ?
CL12 K1 O6B 68.3(7) . 7 ?
O6B K1 O6B 133.1(14) . 7 ?
O2 K1 Se6 125.37(9) . . ?
OL12 K1 Se6 111.3(11) . . ?
OL12 K1 Se6 86.3(12) 7 . ?
CL12 K1 Se6 85.6(4) 7 . ?
CL12 K1 Se6 110.5(4) . . ?
O6B K1 Se6 148.5(7) . . ?
O6B K1 Se6 66.9(7) 7 . ?
O2 K1 Te6 125.37(9) . 7 ?
OL12 K1 Te6 86.3(12) . 7 ?
OL12 K1 Te6 111.3(11) 7 7 ?
CL12 K1 Te6 110.5(4) 7 7 ?
CL12 K1 Te6 85.6(4) . 7 ?
O6B K1 Te6 66.9(7) . 7 ?
O6B K1 Te6 148.5(7) 7 7 ?
Se6 K1 Te6 109.26(18) . 7 ?
O2 K1 Se6 125.37(9) . 7 ?
OL12 K1 Se6 86.3(12) . 7 ?
OL12 K1 Se6 111.3(11) 7 7 ?
CL12 K1 Se6 110.5(4) 7 7 ?
CL12 K1 Se6 85.6(4) . 7 ?
O6B K1 Se6 66.9(7) . 7 ?
O6B K1 Se6 148.5(7) 7 7 ?
Se6 K1 Se6 109.26(18) . 7 ?
Te6 K1 Se6 0.00(7) 7 7 ?
K2B K2A K2B 173(4) . 7 ?
K2B K2A O8B 111(3) . . ?
K2B K2A O8B 62(3) 7 . ?
K2B K2A O8B 62(3) . 7 ?
K2B K2A O8B 111(3) 7 7 ?
O8B K2A O8B 50(3) . 7 ?
K2B K2A O5 169(2) . 7 ?
K2B K2A O5 4(2) 7 7 ?
O8B K2A O5 57.3(14) . 7 ?
O8B K2A O5 107.2(15) 7 7 ?
K2B K2A O5 4(2) . . ?
K2B K2A O5 169(2) 7 . ?
O8B K2A O5 107.2(15) . . ?
O8B K2A O5 57.3(14) 7 . ?
O5 K2A O5 164.5(14) 7 . ?
K2B K2A Te3 100(2) . 7 ?
K2B K2A Te3 84(2) 7 7 ?
O8B K2A Te3 121.3(14) . 7 ?
O8B K2A Te3 127.3(13) 7 7 ?
O5 K2A Te3 86.2(6) 7 7 ?
O5 K2A Te3 103.6(6) . 7 ?
K2B K2A O8C 106(3) . . ?
K2B K2A O8C 67(3) 7 . ?
O8B K2A O8C 10.1(17) . . ?
O8B K2A O8C 46.3(17) 7 . ?
O5 K2A O8C 62.7(15) 7 . ?
O5 K2A O8C 102.1(15) . . ?
Te3 K2A O8C 131.4(13) 7 . ?
K2B K2A O8C 67(3) . 7 ?
K2B K2A O8C 106(3) 7 7 ?
O8B K2A O8C 46.3(17) . 7 ?
O8B K2A O8C 10.1(17) 7 7 ?
O5 K2A O8C 102.1(15) 7 7 ?
O5 K2A O8C 62.7(15) . 7 ?
Te3 K2A O8C 119.0(13) 7 7 ?
O8C K2A O8C 45(3) . 7 ?
K2B K2A Se3 84(2) . . ?
K2B K2A Se3 100(2) 7 . ?
O8B K2A Se3 127.3(13) . . ?
O8B K2A Se3 121.3(14) 7 . ?
O5 K2A Se3 103.6(6) 7 . ?
O5 K2A Se3 86.2(6) . . ?
Te3 K2A Se3 103.3(5) 7 . ?
O8C K2A Se3 119.0(13) . . ?
O8C K2A Se3 131.4(13) 7 . ?
K2B K2A Se3 100(2) . 7 ?
K2B K2A Se3 84(2) 7 7 ?
O8B K2A Se3 121.3(14) . 7 ?
O8B K2A Se3 127.3(13) 7 7 ?
O5 K2A Se3 86.2(6) 7 7 ?
O5 K2A Se3 103.6(6) . 7 ?
Te3 K2A Se3 0.00(6) 7 7 ?
O8C K2A Se3 131.4(13) . 7 ?
O8C K2A Se3 119.0(13) 7 7 ?
Se3 K2A Se3 103.3(5) . 7 ?
K2A K2B O5 172(4) . . ?
K2A K2B O8B 90(3) . 7 ?
O5 K2B O8B 82(3) . 7 ?
K2A K2B K2B 3(2) . 7 ?
O5 K2B K2B 168(2) . 7 ?
O8B K2B K2B 86.2(18) 7 7 ?
K2A K2B O8C 91(3) . 7 ?
O5 K2B O8C 82(3) . 7 ?
O8B K2B O8C 10(2) 7 7 ?
K2B K2B O8C 87.1(18) 7 7 ?
K2A K2B O7A 119(2) . 7 ?
O5 K2B O7A 58.6(19) . 7 ?
O8B K2B O7A 63.5(18) 7 7 ?
K2B K2B O7A 117(2) 7 7 ?
O8C K2B O7A 55.1(16) 7 7 ?
K2A K2B O8B 48(2) . . ?
O5 K2B O8B 124(3) . . ?
O8B K2B O8B 42(2) 7 . ?
K2B K2B O8B 44.2(13) 7 . ?
O8C K2B O8B 44.3(18) 7 . ?
O7A K2B O8B 91.3(15) 7 . ?
K2A K2B Se3 74(2) . . ?
O5 K2B Se3 110(2) . . ?
O8B K2B Se3 129(2) 7 . ?
K2B K2B Se3 76.2(15) 7 . ?
O8C K2B Se3 138(2) 7 . ?
O7A K2B Se3 164.1(16) 7 . ?
O8B K2B Se3 104.5(16) . . ?
K2A K2B Se4 121(3) . 7 ?
O5 K2B Se4 67(2) . 7 ?
O8B K2B Se4 146(2) 7 7 ?
K2B K2B Se4 124.5(9) 7 7 ?
O8C K2B Se4 141(2) 7 7 ?
O7A K2B Se4 88.1(11) 7 7 ?
O8B K2B Se4 165.7(18) . 7 ?
Se3 K2B Se4 76.9(9) . 7 ?
K2A K2B Te4 121(3) . 7 ?
O5 K2B Te4 67(2) . 7 ?
O8B K2B Te4 146(2) 7 7 ?
K2B K2B Te4 124.5(9) 7 7 ?
O8C K2B Te4 141(2) 7 7 ?
O7A K2B Te4 88.1(11) 7 7 ?
O8B K2B Te4 165.7(18) . 7 ?
Se3 K2B Te4 76.9(9) . 7 ?
Se4 K2B Te4 0.00(5) 7 7 ?
K2A K2B Te3 60.1(18) . 7 ?
O5 K2B Te3 126(3) . 7 ?
O8B K2B Te3 121(2) 7 7 ?
K2B K2B Te3 62.3(13) 7 7 ?
O8C K2B Te3 113.7(18) 7 7 ?
O7A K2B Te3 87.5(10) 7 7 ?
O8B K2B Te3 94.2(15) . 7 ?
Se3 K2B Te3 92.5(10) . 7 ?
Se4 K2B Te3 71.5(8) 7 7 ?
Te4 K2B Te3 71.5(8) 7 7 ?
O4 K3 O1 71.5(4) . . ?
O4 K3 K5 70.4(5) . 1_565 ?
O1 K3 K5 77.3(5) . 1_565 ?
O4 K3 Te4 83.9(3) . 7 ?
O1 K3 Te4 112.4(3) . 7 ?
K5 K3 Te4 148.3(4) 1_565 7 ?
O4 K3 Se4 83.9(3) . 7 ?
O1 K3 Se4 112.4(3) . 7 ?
K5 K3 Se4 148.3(4) 1_565 7 ?
Te4 K3 Se4 0.00(7) 7 7 ?
O4 K3 Te5 137.5(3) . 6_465 ?
O1 K3 Te5 79.2(3) . 6_465 ?
K5 K3 Te5 132.1(4) 1_565 6_465 ?
Te4 K3 Te5 79.53(11) 7 6_465 ?
Se4 K3 Te5 79.53(11) 7 6_465 ?
O4 K3 Se5 137.5(3) . 6_465 ?
O1 K3 Se5 79.2(3) . 6_465 ?
K5 K3 Se5 132.1(4) 1_565 6_465 ?
Te4 K3 Se5 79.53(11) 7 6_465 ?
Se4 K3 Se5 79.53(11) 7 6_465 ?
Te5 K3 Se5 0.00(6) 6_465 6_465 ?
O4 K3 Te8 73.8(3) . 7 ?
O1 K3 Te8 130.8(3) . 7 ?
K5 K3 Te8 58.5(3) 1_565 7 ?
Te4 K3 Te8 97.30(12) 7 7 ?
Se4 K3 Te8 97.30(12) 7 7 ?
Te5 K3 Te8 146.82(14) 6_465 7 ?
Se5 K3 Te8 146.82(14) 6_465 7 ?
O4 K3 Se8 73.8(3) . 7 ?
O1 K3 Se8 130.8(3) . 7 ?
K5 K3 Se8 58.5(3) 1_565 7 ?
Te4 K3 Se8 97.30(12) 7 7 ?
Se4 K3 Se8 97.30(12) 7 7 ?
Te5 K3 Se8 146.82(14) 6_465 7 ?
Se5 K3 Se8 146.82(14) 6_465 7 ?
Te8 K3 Se8 0.00(7) 7 7 ?
O4 K3 Se7 136.6(3) . 7 ?
O1 K3 Se7 151.2(3) . 7 ?
K5 K3 Se7 114.5(4) 1_565 7 ?
Te4 K3 Se7 72.19(10) 7 7 ?
Se4 K3 Se7 72.19(10) 7 7 ?
Te5 K3 Se7 73.68(9) 6_465 7 ?
Se5 K3 Se7 73.68(9) 6_465 7 ?
Te8 K3 Se7 73.94(9) 7 7 ?
Se8 K3 Se7 73.94(9) 7 7 ?
O4 K3 Te7 136.6(3) . 7 ?
O1 K3 Te7 151.2(3) . 7 ?
K5 K3 Te7 114.5(4) 1_565 7 ?
Te4 K3 Te7 72.19(10) 7 7 ?
Se4 K3 Te7 72.19(10) 7 7 ?
Te5 K3 Te7 73.68(9) 6_465 7 ?
Se5 K3 Te7 73.68(9) 6_465 7 ?
Te8 K3 Te7 73.94(9) 7 7 ?
Se8 K3 Te7 73.94(9) 7 7 ?
Se7 K3 Te7 0.00(5) 7 7 ?
O4 K3 Sn2 111.7(3) . 7 ?
O1 K3 Sn2 152.8(3) . 7 ?
K5 K3 Sn2 78.6(3) 1_565 7 ?
Te4 K3 Sn2 94.74(11) 7 7 ?
Se4 K3 Sn2 94.74(11) 7 7 ?
Te5 K3 Sn2 108.54(11) 6_465 7 ?
Se5 K3 Sn2 108.54(11) 6_465 7 ?
Te8 K3 Sn2 38.40(6) 7 7 ?
Se8 K3 Sn2 38.40(6) 7 7 ?
Se7 K3 Sn2 38.75(6) 7 7 ?
Te7 K3 Sn2 38.75(6) 7 7 ?
O9 K4 CL12 71.1(5) . 3_644 ?
O9 K4 OL12 70.8(11) . 3_644 ?
CL12 K4 OL12 0.8(15) 3_644 3_644 ?
O9 K4 O5 86.7(5) . 3_654 ?
CL12 K4 O5 151.7(6) 3_644 3_654 ?
OL12 K4 O5 151.9(12) 3_644 3_654 ?
O9 K4 K5 77.6(5) . 5_654 ?
CL12 K4 K5 99.8(5) 3_644 5_654 ?
OL12 K4 K5 100.4(12) 3_644 5_654 ?
O5 K4 K5 57.1(6) 3_654 5_654 ?
O9 K4 Te5 112.2(3) . 7 ?
CL12 K4 Te5 83.1(4) 3_644 7 ?
OL12 K4 Te5 82.6(11) 3_644 7 ?
O5 K4 Te5 122.5(5) 3_654 7 ?
K5 K4 Te5 170.2(4) 5_654 7 ?
O9 K4 Se5 112.2(3) . 7 ?
CL12 K4 Se5 83.1(4) 3_644 7 ?
OL12 K4 Se5 82.6(11) 3_644 7 ?
O5 K4 Se5 122.5(5) 3_654 7 ?
K5 K4 Se5 170.2(4) 5_654 7 ?
Te5 K4 Se5 0.00(7) 7 7 ?
O9 K4 Se7 129.1(3) . . ?
CL12 K4 Se7 77.8(4) 3_644 . ?
OL12 K4 Se7 78.5(11) 3_644 . ?
O5 K4 Se7 104.9(5) 3_654 . ?
K5 K4 Se7 69.2(3) 5_654 . ?
Te5 K4 Se7 102.66(11) 7 . ?
Se5 K4 Se7 102.66(11) 7 . ?
O9 K4 Se6 145.4(3) . . ?
CL12 K4 Se6 142.7(4) 3_644 . ?
OL12 K4 Se6 143.0(10) 3_644 . ?
O5 K4 Se6 62.9(5) 3_654 . ?
K5 K4 Se6 97.1(4) 5_654 . ?
Te5 K4 Se6 75.39(9) 7 . ?
Se5 K4 Se6 75.39(9) 7 . ?
Se7 K4 Se6 77.72(9) . . ?
O9 K4 Te4 71.1(3) . 5_654 ?
CL12 K4 Te4 126.8(4) 3_644 5_654 ?
OL12 K4 Te4 126.0(12) 3_644 5_654 ?
O5 K4 Te4 56.9(5) 3_654 5_654 ?
K5 K4 Te4 107.0(4) 5_654 5_654 ?
Te5 K4 Te4 78.04(9) 7 5_654 ?
Se5 K4 Te4 78.04(9) 7 5_654 ?
Se7 K4 Te4 154.84(14) . 5_654 ?
Se6 K4 Te4 78.19(9) . 5_654 ?
O7B K5 O7A 8.2(4) . . ?
O7B K5 O5 59.6(7) . 7 ?
O7A K5 O5 52.9(6) . 7 ?
O7B K5 K3 110.6(7) . 1_545 ?
O7A K5 K3 115.2(7) . 1_545 ?
O5 K5 K3 158.2(9) 7 1_545 ?
O7B K5 K4 92.9(6) . 5_644 ?
O7A K5 K4 91.9(6) . 5_644 ?
O5 K5 K4 58.2(6) 7 5_644 ?
K3 K5 K4 143.6(7) 1_545 5_644 ?
O7B K5 Te8 122.1(7) . 7_545 ?
O7A K5 Te8 130.0(7) . 7_545 ?
O5 K5 Te8 138.0(8) 7 7_545 ?
K3 K5 Te8 63.7(4) 1_545 7_545 ?
K4 K5 Te8 80.4(4) 5_644 7_545 ?
O7B K5 Se8 122.1(7) . 7_545 ?
O7A K5 Se8 130.0(7) . 7_545 ?
O5 K5 Se8 138.0(8) 7 7_545 ?
K3 K5 Se8 63.7(4) 1_545 7_545 ?
K4 K5 Se8 80.4(4) 5_644 7_545 ?
Te8 K5 Se8 0.00(8) 7_545 7_545 ?
O7B K5 Te2 115.3(7) . 5_644 ?
O7A K5 Te2 107.3(7) . 5_644 ?
O5 K5 Te2 72.1(6) 7 5_644 ?
K3 K5 Te2 98.4(5) 1_545 5_644 ?
K4 K5 Te2 95.9(5) 5_644 5_644 ?
Te8 K5 Te2 122.6(6) 7_545 5_644 ?
Se8 K5 Te2 122.6(6) 7_545 5_644 ?
O7B K5 Te7 149.1(7) . 5_644 ?
O7A K5 Te7 146.4(7) . 5_644 ?
O5 K5 Te7 96.6(7) 7 5_644 ?
K3 K5 Te7 98.2(5) 1_545 5_644 ?
K4 K5 Te7 56.4(3) 5_644 5_644 ?
Te8 K5 Te7 61.3(3) 7_545 5_644 ?
Se8 K5 Te7 61.3(3) 7_545 5_644 ?
Te2 K5 Te7 69.3(3) 5_644 5_644 ?
O7B K5 Se7 149.1(7) . 5_644 ?
O7A K5 Se7 146.4(7) . 5_644 ?
O5 K5 Se7 96.6(7) 7 5_644 ?
K3 K5 Se7 98.2(5) 1_545 5_644 ?
K4 K5 Se7 56.4(3) 5_644 5_644 ?
Te8 K5 Se7 61.3(3) 7_545 5_644 ?
Se8 K5 Se7 61.3(3) 7_545 5_644 ?
Te2 K5 Se7 69.3(3) 5_644 5_644 ?
Te7 K5 Se7 0.00(5) 5_644 5_644 ?
O7B K5 K2B 53.8(7) . 7 ?
O7A K5 K2B 46.2(7) . 7 ?
O5 K5 K2B 12.6(8) 7 7 ?
K3 K5 K2B 145.7(8) 1_545 7 ?
K4 K5 K2B 70.7(7) 5_644 7 ?
Te8 K5 K2B 150.0(8) 7_545 7 ?
Se8 K5 K2B 150.0(8) 7_545 7 ?
Te2 K5 K2B 69.5(6) 5_644 7 ?
Te7 K5 K2B 106.3(7) 5_644 7 ?
Se7 K5 K2B 106.3(7) 5_644 7 ?
O6B K6A O9 86.2(10) . 5_654 ?
O6B K6A O10 94.8(10) . 5_654 ?
O9 K6A O10 75.8(5) 5_654 5_654 ?
O6B K6A OL12 82.3(16) . 7 ?
O9 K6A OL12 74.4(13) 5_654 7 ?
O10 K6A OL12 150.3(14) 5_654 7 ?
O6B K6A O6A 19.7(9) . 6_565 ?
O9 K6A O6A 86.2(6) 5_654 6_565 ?
O10 K6A O6A 75.6(6) 5_654 6_565 ?
OL12 K6A O6A 101.3(13) 7 6_565 ?
O6B K6A CL12 83.8(11) . 7 ?
O9 K6A CL12 72.1(5) 5_654 7 ?
O10 K6A CL12 147.9(6) 5_654 7 ?
OL12 K6A CL12 2.8(16) 7 7 ?
O6A K6A CL12 102.5(7) 6_565 7 ?
O6B K6A O1 142.2(10) . 7_565 ?
O9 K6A O1 125.9(5) 5_654 7_565 ?
O10 K6A O1 77.3(5) 5_654 7_565 ?
OL12 K6A O1 122.0(13) 7 7_565 ?
O6A K6A O1 130.2(6) 6_565 7_565 ?
CL12 K6A O1 121.9(6) 7 7_565 ?
O6B K6A O2 72.9(10) . . ?
O9 K6A O2 141.0(6) 5_654 . ?
O10 K6A O2 137.0(5) 5_654 . ?
OL12 K6A O2 70.4(14) 7 . ?
O6A K6A O2 84.5(6) 6_565 . ?
CL12 K6A O2 73.1(6) 7 . ?
O1 K6A O2 87.8(6) 7_565 . ?
O6B K6A K4 112.2(10) . 5_654 ?
O9 K6A K4 42.7(3) 5_654 5_654 ?
O10 K6A K4 106.7(4) 5_654 5_654 ?
OL12 K6A K4 49.3(13) 7 5_654 ?
O6A K6A K4 122.0(6) 6_565 5_654 ?
CL12 K6A K4 46.5(4) 7 5_654 ?
O1 K6A K4 105.5(4) 7_565 5_654 ?
O2 K6A K4 116.2(3) . 5_654 ?
O6B K6A K1 51.0(9) . . ?
O9 K6A K1 100.2(4) 5_654 . ?
O10 K6A K1 145.7(4) 5_654 . ?
OL12 K6A K1 42.2(13) 7 . ?
O6A K6A K1 70.1(5) 6_565 . ?
CL12 K6A K1 44.9(4) 7 . ?
O1 K6A K1 127.0(4) 7_565 . ?
O2 K6A K1 41.2(5) . . ?
K4 K6A K1 90.61(17) 5_654 . ?
O6B K6A K3 164.2(10) . 7_565 ?
O9 K6A K3 89.9(4) 5_654 7_565 ?
O10 K6A K3 69.4(4) 5_654 7_565 ?
OL12 K6A K3 111.4(12) 7 7_565 ?
O6A K6A K3 144.7(6) 6_565 7_565 ?
CL12 K6A K3 109.5(5) 7 7_565 ?
O1 K6A K3 36.4(3) 7_565 7_565 ?
O2 K6A K3 118.3(4) . 7_565 ?
K4 K6A K3 74.14(16) 5_654 7_565 ?
K1 K6A K3 144.8(2) . 7_565 ?
O1 K6B OL12 139.2(15) 7_565 7 ?
O1 K6B CL12 138.7(10) 7_565 7 ?
OL12 K6B CL12 2.8(16) 7 7 ?
O1 K6B O6B 140.6(12) 7_565 . ?
OL12 K6B O6B 77.3(16) 7 . ?
CL12 K6B O6B 78.6(11) 7 . ?
O1 K6B O2 99.6(9) 7_565 . ?
OL12 K6B O2 74.9(15) 7 . ?
CL12 K6B O2 77.6(8) 7 . ?
O6B K6B O2 72.3(10) . . ?
O1 K6B O10 77.2(7) 7_565 5_654 ?
OL12 K6B O10 135.5(15) 7 5_654 ?
CL12 K6B O10 133.8(9) 7 5_654 ?
O6B K6B O10 81.7(10) . 5_654 ?
O2 K6B O10 133.9(8) . 5_654 ?
O1 K6B O9 124.9(9) 7_565 5_654 ?
OL12 K6B O9 69.9(14) 7 5_654 ?
CL12 K6B O9 67.7(7) 7 5_654 ?
O6B K6B O9 74.0(10) . 5_654 ?
O2 K6B O9 135.4(10) . 5_654 ?
O10 K6B O9 66.8(6) 5_654 5_654 ?
O1 K6B O6A 126.6(9) 7_565 6_565 ?
OL12 K6B O6A 93.1(14) 7 6_565 ?
CL12 K6B O6A 94.2(9) 7 6_565 ?
O6B K6B O6A 16.8(8) . 6_565 ?
O2 K6B O6A 81.6(7) . 6_565 ?
O10 K6B O6A 66.0(7) 5_654 6_565 ?
O9 K6B O6A 74.0(7) 5_654 6_565 ?
O1 K6B K4 112.4(7) 7_565 5_654 ?
OL12 K6B K4 49.2(14) 7 5_654 ?
CL12 K6B K4 46.3(5) 7 5_654 ?
O6B K6B K4 104.0(10) . 5_654 ?
O2 K6B K4 122.1(7) . 5_654 ?
O10 K6B K4 100.5(6) 5_654 5_654 ?
O9 K6B K4 42.6(3) 5_654 5_654 ?
O6A K6B K4 111.3(7) 6_565 5_654 ?
O1 K6B Te5 69.8(6) 7_565 3_654 ?
OL12 K6B Te5 73.4(13) 7 3_654 ?
CL12 K6B Te5 71.8(6) 7 3_654 ?
O6B K6B Te5 149.7(11) . 3_654 ?
O2 K6B Te5 106.9(6) . 3_654 ?
O10 K6B Te5 114.4(7) 5_654 3_654 ?
O9 K6B Te5 88.5(5) 5_654 3_654 ?
O6A K6B Te5 161.0(8) 6_565 3_654 ?
K4 K6B Te5 49.7(2) 5_654 3_654 ?
O1 K6B K1 139.6(8) 7_565 . ?
OL12 K6B K1 42.1(14) 7 . ?
CL12 K6B K1 44.8(5) 7 . ?
O6B K6B K1 51.2(9) . . ?
O2 K6B K1 41.0(6) . . ?
O10 K6B K1 132.8(7) 5_654 . ?
O9 K6B K1 94.6(6) 5_654 . ?
O6A K6B K1 67.3(6) 6_565 . ?
K4 K6B K1 90.5(4) 5_654 . ?
Te5 K6B K1 107.6(4) 3_654 . ?
O1 K6B K3 38.1(5) 7_565 7_565 ?
OL12 K6B K3 118.8(14) 7 7_565 ?
CL12 K6B K3 116.6(7) 7 7_565 ?
O6B K6B K3 152.0(10) . 7_565 ?
O2 K6B K3 131.8(8) . 7_565 ?
O10 K6B K3 70.9(5) 5_654 7_565 ?
O9 K6B K3 89.7(6) 5_654 7_565 ?
O6A K6B K3 136.9(8) 6_565 7_565 ?
K4 K6B K3 76.5(4) 5_654 7_565 ?
Te5 K6B K3 48.2(2) 3_654 7_565 ?
K1 K6B K3 155.4(5) . 7_565 ?
K6B O1 K3 107.9(7) 7_455 . ?
K6B O1 K6A 8.0(5) 7_455 7_455 ?
K3 O1 K6A 106.3(5) . 7_455 ?
K1 O2 K6B 95.7(7) . . ?
K1 O2 K6B 95.7(7) . 7 ?
K6B O2 K6B 168.5(13) . 7 ?
K1 O2 K6A 90.7(5) . 7 ?
K6B O2 K6A 170.6(8) . 7 ?
K6B O2 K6A 8.5(4) 7 7 ?
K1 O2 K6A 90.7(5) . . ?
K6B O2 K6A 8.5(4) . . ?
K6B O2 K6A 170.6(8) 7 . ?
K6A O2 K6A 178.5(10) 7 . ?
K2B O5 K2A 4(2) . . ?
K2B O5 K5 139(2) . 7 ?
K2A O5 K5 135.4(11) . 7 ?
K2B O5 K4 156(2) . 4_465 ?
K2A O5 K4 159.8(11) . 4_465 ?
K5 O5 K4 64.7(7) 7 4_465 ?
O6B O6A K6A 57(3) 6_465 6_465 ?
O6B O6A K6B 55(3) 6_465 6_465 ?
K6A O6A K6B 5.7(4) 6_465 6_465 ?
O6A O6B K6A 103(3) 6_565 . ?
O6A O6B K6B 108(3) 6_565 . ?
K6A O6B K6B 7.8(5) . . ?
O6A O6B K1 157(3) 6_565 . ?
K6A O6B K1 93.9(11) . . ?
K6B O6B K1 87.5(11) . . ?
K5 O7A K2B 92.9(10) . 7 ?
O8C O8A O8C 136(9) . 7 ?
O8C O8A O8B 108(7) . 7 ?
O8C O8A O8B 31(4) 7 7 ?
O8C O8A O8B 31(4) . . ?
O8C O8A O8B 108(7) 7 . ?
O8B O8A O8B 88(6) 7 . ?
O8C O8B O8A 58(7) . . ?
O8C O8B K2B 142(8) . 7 ?
O8A O8B K2B 140(4) . 7 ?
O8C O8B K2A 136(8) . . ?
O8A O8B K2A 111(3) . . ?
K2B O8B K2A 28.7(13) 7 . ?
O8C O8B K2B 124(8) . . ?
O8A O8B K2B 90(3) . . ?
K2B O8B K2B 50(2) 7 . ?
K2A O8B K2B 20.8(9) . . ?
O8B O8C O8A 91(9) . . ?
O8B O8C K2B 28(7) . 7 ?
O8A O8C K2B 109(6) . 7 ?
O8B O8C K2A 34(6) . . ?
O8A O8C K2A 90(5) . . ?
K2B O8C K2A 22.7(10) 7 . ?
K4 O9 K6A 94.1(4) . 5_644 ?
K4 O9 K6B 87.1(5) . 5_644 ?
K6A O9 K6B 7.2(4) 5_644 5_644 ?
K6A O10 K6B 7.8(5) 5_644 5_644 ?
K6B CL12 K6A 10.2(4) 7 7 ?
K6B CL12 K4 90.0(7) 7 4_565 ?
K6A CL12 K4 88.7(6) 7 4_565 ?
K6B CL12 K1 94.1(7) 7 . ?
K6A CL12 K1 93.1(6) 7 . ?
K4 CL12 K1 166.7(8) 4_565 . ?
K6B OL12 K6A 10.3(5) 7 7 ?
K6B OL12 K1 97.8(19) 7 . ?
K6A OL12 K1 96.6(18) 7 . ?
K6B OL12 K4 88.0(18) 7 4_565 ?
K6A OL12 K4 86.6(17) 7 4_565 ?
K1 OL12 K4 165(2) . 4_565 ?
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 Se3 2.556(2) . ?
Sn1 Se5 2.5799(19) . ?
Sn1 Se4 2.5936(19) . ?
Sn1 Te1 2.6976(17) . ?
Sn2 Se8 2.5500(18) . ?
Sn2 Se7 2.575(2) . ?
Sn2 Se6 2.581(2) . ?
Sn2 Te2 2.6905(17) . ?
Sn2 K4 3.951(4) . ?
Sn2 K3 4.071(5) 7 ?
Te2 K5 3.568(19) 5_654 ?
Se3 Mn1 2.596(3) 7 ?
Se3 K2A 3.305(11) . ?
Se3 K2B 3.42(4) . ?
Se3 K2B 3.75(4) 7 ?
Se4 Mn1 2.616(3) . ?
Se4 K3 3.442(6) 7 ?
Se4 K2B 3.51(4) 7 ?
Se4 K4 3.609(4) 5_644 ?
Se5 Mn2 2.614(3) . ?
Se5 K4 3.395(5) 7 ?
Se5 K3 3.456(5) 6_565 ?
Se6 Mn2 2.619(3) 7 ?
Se6 K1 3.383(4) . ?
Se6 K4 3.456(4) . ?
Se7 Mn1 2.598(3) . ?
Se7 K4 3.406(4) . ?
Se7 K3 3.549(5) 7 ?
Se7 K5 3.822(19) 5_654 ?
Se8 Mn2 2.582(3) . ?
Se8 K5 3.35(2) 7_655 ?
Se8 K3 3.521(5) 7 ?
Se9 Mn1 2.533(3) . ?
Se9 Mn1 2.533(3) 7 ?
Se9 Mn2 2.537(3) 7 ?
Se9 Mn2 2.537(3) . ?
Mn1 Te3 2.596(3) 7 ?
Mn1 Se3 2.596(3) 7 ?
Mn1 K2B 4.10(4) 7 ?
Mn2 Te6 2.619(3) 7 ?
Mn2 Se6 2.619(3) 7 ?
Mn2 K4 4.083(5) 7 ?
K1 O2 2.73(2) . ?
K1 OL12 2.81(6) . ?
K1 OL12 2.81(6) 7 ?
K1 CL12 2.93(2) 7 ?
K1 CL12 2.93(2) . ?
K1 O6B 3.23(4) . ?
K1 O6B 3.23(4) 7 ?
K1 Te6 3.383(4) 7 ?
K1 Se6 3.383(4) 7 ?
K2A K2B 1.28(5) . ?
K2A K2B 1.28(5) 7 ?
K2A O8B 2.67(7) . ?
K2A O8B 2.67(7) 7 ?
K2A O5 2.68(3) 7 ?
K2A O5 2.68(3) . ?
K2A Te3 3.305(11) 7 ?
K2A O8C 3.31(9) . ?
K2A O8C 3.31(9) 7 ?
K2A Se3 3.305(11) 7 ?
K2B O5 1.41(4) . ?
K2B O8B 2.34(8) 7 ?
K2B K2B 2.56(9) 7 ?
K2B O8C 3.04(9) 7 ?
K2B O7A 3.07(4) 7 ?
K2B O8B 3.35(8) . ?
K2B Se4 3.51(4) 7 ?
K2B Te4 3.51(4) 7 ?
K2B Te3 3.75(4) 7 ?
K3 O4 2.785(14) . ?
K3 O1 2.811(15) . ?
K3 K5 3.323(19) 1_565 ?
K3 Te4 3.442(6) 7 ?
K3 Se4 3.442(6) 7 ?
K3 Te5 3.456(5) 6_465 ?
K3 Se5 3.456(5) 6_465 ?
K3 Te8 3.521(5) 7 ?
K3 Se8 3.521(5) 7 ?
K3 Se7 3.549(5) 7 ?
K3 Te7 3.549(5) 7 ?
K3 Sn2 4.071(5) 7 ?
K4 O9 2.684(12) . ?
K4 CL12 2.86(2) 3_644 ?
K4 OL12 3.00(6) 3_644 ?
K4 O5 3.13(3) 3_654 ?
K4 K5 3.327(19) 5_654 ?
K4 Te5 3.395(5) 7 ?
K4 Se5 3.395(5) 7 ?
K4 Te4 3.609(4) 5_654 ?
K5 O7B 2.60(2) . ?
K5 O7A 2.79(2) . ?
K5 O5 3.09(3) 7 ?
K5 K3 3.323(19) 1_545 ?
K5 K4 3.327(19) 5_644 ?
K5 Te8 3.35(2) 7_545 ?
K5 Se8 3.35(2) 7_545 ?
K5 Te2 3.568(19) 5_644 ?
K5 Te7 3.822(19) 5_644 ?
K5 Se7 3.822(19) 5_644 ?
K5 K2B 4.25(5) 7 ?
K6A O6B 2.39(4) . ?
K6A O9 2.706(15) 5_654 ?
K6A O10 2.748(18) 5_654 ?
K6A OL12 2.75(6) 7 ?
K6A O6A 2.77(2) 6_565 ?
K6A CL12 2.78(2) 7 ?
K6A O1 2.864(17) 7_565 ?
K6A O2 3.084(8) . ?
K6A K4 3.944(9) 5_654 ?
K6A K3 4.542(10) 7_565 ?
K6B O1 2.54(3) 7_565 ?
K6B OL12 2.69(6) 7 ?
K6B CL12 2.73(3) 7 ?
K6B O6B 2.74(4) . ?
K6B O2 2.85(2) . ?
K6B O10 3.04(3) 5_654 ?
K6B O9 3.04(2) 5_654 ?
K6B O6A 3.17(3) 6_565 ?
K6B K4 3.96(2) 5_654 ?
K6B Te5 4.12(2) 3_654 ?
K6B K3 4.33(2) 7_565 ?
O1 K6B 2.54(3) 7_455 ?
O1 K6A 2.864(17) 7_455 ?
O2 K6B 2.85(2) 7 ?
O2 K6A 3.084(8) 7 ?
O5 K5 3.09(3) 7 ?
O5 K4 3.13(3) 4_465 ?
O6A O6B 0.96(4) 6_465 ?
O6A K6A 2.77(2) 6_465 ?
O6A K6B 3.17(3) 6_465 ?
O6B O6A 0.96(4) 6_565 ?
O7A K2B 3.07(4) 7 ?
O8A O8C 1.37(8) . ?
O8A O8C 1.37(8) 7 ?
O8A O8B 1.62(8) 7 ?
O8A O8B 1.62(8) . ?
O8B O8C 0.83(8) . ?
O8B K2B 2.34(8) 7 ?
O8C K2B 3.04(9) 7 ?
O9 K6A 2.706(15) 5_644 ?
O9 K6B 3.04(2) 5_644 ?
O10 K6A 2.748(18) 5_644 ?
O10 K6B 3.04(3) 5_644 ?
CL12 K6B 2.73(3) 7 ?
CL12 K6A 2.78(2) 7 ?
CL12 K4 2.86(2) 4_565 ?
OL12 K6B 2.69(6) 7 ?
OL12 K6A 2.75(6) 7 ?
OL12 K4 3.00(6) 4_565 ?
