#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:47:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179306 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320328.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_4320328
loop_
_publ_author_name
'Franck Gascoin'
'Slavi C. Sevov'
_publ_section_title
;
 Synthesis and Characterization of the "Metallic Salts" A5Pn4 (A = K, Rb,
 Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an
 Extra Delocalized Electron
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5177
_journal_page_last               5181
_journal_paper_doi               10.1021/ic0104499
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         K5Bi4
_chemical_formula_sum            'Bi4 K5'
_chemical_formula_weight         1031.42
_chemical_melting_point          ?
_chemical_name_common            K5Bi4
_chemical_name_systematic
;
   ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_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                 111.458(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.517(2)
_cell_length_b                   5.5412(10)
_cell_length_c                   11.625(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      10.938
_cell_measurement_theta_min      8.148
_cell_volume                     750.4(2)
_computing_cell_refinement       'CAD4_(Enraf Nonius,_1977)'
_computing_data_collection       'CAD4_(Enraf Nonius,_1977)'
_computing_data_reduction        SDS_Package_(Enraf-Nonius,_1985)
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_computing_publication_material  'SHELXTL (Siemens, 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  Enraf_Nonius_CAD4
_diffrn_measurement_method       omega-2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            740
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         3.31
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    48.094
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2898
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Xabs
_exptl_crystal_colour            'gray, metallic luster'
_exptl_crystal_density_diffrn    4.565
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             854
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         6.565
_refine_diff_density_min         -4.104
_refine_diff_density_rms         0.936
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_reflns         740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0786
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1659P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1962
_refine_ls_wR_factor_ref         0.2115
_reflns_number_gt                577
_reflns_number_total             740
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0104499_4.cif
_cod_data_source_block           K5Bi4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4320328
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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
Bi1 Bi 0.11182(11) 0.0000 0.11193(13) 0.0296(6) Uani 1 2 d S . .
Bi2 Bi 0.04571(12) 0.0000 0.33515(14) 0.0313(6) Uani 1 2 d S . .
K1 K 0.4038(7) 0.0000 0.1097(9) 0.032(2) Uani 1 2 d S . .
K2 K 0.2432(8) 0.5000 0.3322(11) 0.045(2) Uani 1 2 d S . .
K3 K 0.012(6) 0.5000 0.489(5) 0.096(13) Uani 0.50 2 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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
Bi2 Bi1 Bi1 106.32(7) . 5 ?
Bi2 Bi1 K1 126.71(16) . . ?
Bi1 Bi1 K1 126.97(16) 5 . ?
Bi2 Bi1 K2 66.23(15) . . ?
Bi1 Bi1 K2 128.64(13) 5 . ?
K1 Bi1 K2 79.29(17) . . ?
Bi2 Bi1 K2 66.23(15) . 1_545 ?
Bi1 Bi1 K2 128.64(13) 5 1_545 ?
K1 Bi1 K2 79.29(17) . 1_545 ?
K2 Bi1 K2 96.2(3) . 1_545 ?
Bi2 Bi1 K1 129.41(11) . 7_545 ?
Bi1 Bi1 K1 67.12(12) 5 7_545 ?
K1 Bi1 K1 78.24(16) . 7_545 ?
K2 Bi1 K1 157.5(2) . 7_545 ?
K2 Bi1 K1 79.71(17) 1_545 7_545 ?
Bi2 Bi1 K1 129.41(11) . 7 ?
Bi1 Bi1 K1 67.12(12) 5 7 ?
K1 Bi1 K1 78.24(16) . 7 ?
K2 Bi1 K1 79.70(17) . 7 ?
K2 Bi1 K1 157.5(2) 1_545 7 ?
K1 Bi1 K1 95.6(2) 7_545 7 ?
Bi2 Bi1 K1 66.42(14) . 3_445 ?
Bi1 Bi1 K1 65.20(13) 5 3_445 ?
K1 Bi1 K1 133.11(9) . 3_445 ?
K2 Bi1 K1 132.62(18) . 3_445 ?
K2 Bi1 K1 65.83(17) 1_545 3_445 ?
K1 Bi1 K1 65.9(2) 7_545 3_445 ?
K1 Bi1 K1 132.32(7) 7 3_445 ?
Bi2 Bi1 K1 66.42(14) . 3_455 ?
Bi1 Bi1 K1 65.20(13) 5 3_455 ?
K1 Bi1 K1 133.11(9) . 3_455 ?
K2 Bi1 K1 65.83(17) . 3_455 ?
K2 Bi1 K1 132.62(18) 1_545 3_455 ?
K1 Bi1 K1 132.32(7) 7_545 3_455 ?
K1 Bi1 K1 65.9(2) 7 3_455 ?
K1 Bi1 K1 93.77(18) 3_445 3_455 ?
Bi1 Bi2 K3 125.6(3) . . ?
Bi1 Bi2 K3 125.6(3) . 1_545 ?
K3 Bi2 K3 108.7(6) . 1_545 ?
Bi1 Bi2 K3 130.9(2) . 5_566 ?
K3 Bi2 K3 6.0(10) . 5_566 ?
K3 Bi2 K3 103.54(6) 1_545 5_566 ?
Bi1 Bi2 K3 130.9(2) . 5_556 ?
K3 Bi2 K3 103.54(6) . 5_556 ?
K3 Bi2 K3 6.0(10) 1_545 5_556 ?
K3 Bi2 K3 98.2(5) 5_566 5_556 ?
Bi1 Bi2 K2 66.27(17) . . ?
K3 Bi2 K2 67.1(7) . . ?
K3 Bi2 K2 145.1(14) 1_545 . ?
K3 Bi2 K2 73.1(6) 5_566 . ?
K3 Bi2 K2 146.5(12) 5_556 . ?
Bi1 Bi2 K2 66.27(17) . 1_545 ?
K3 Bi2 K2 145.1(14) . 1_545 ?
K3 Bi2 K2 67.1(7) 1_545 1_545 ?
K3 Bi2 K2 146.5(12) 5_566 1_545 ?
K3 Bi2 K2 73.1(6) 5_556 1_545 ?
K2 Bi2 K2 96.2(2) . 1_545 ?
Bi1 Bi2 K2 125.87(18) . 3_445 ?
K3 Bi2 K2 71.8(11) . 3_445 ?
K3 Bi2 K2 71.8(11) 1_545 3_445 ?
K3 Bi2 K2 66.7(10) 5_566 3_445 ?
K3 Bi2 K2 66.7(10) 5_556 3_445 ?
K2 Bi2 K2 131.87(10) . 3_445 ?
K2 Bi2 K2 131.87(10) 1_545 3_445 ?
Bi1 Bi2 K1 66.95(13) . 3_445 ?
K3 Bi2 K1 147.4(13) . 3_445 ?
K3 Bi2 K1 69.6(10) 1_545 3_445 ?
K3 Bi2 K1 143.3(12) 5_566 3_445 ?
K3 Bi2 K1 72.2(9) 5_556 3_445 ?
K2 Bi2 K1 133.19(19) . 3_445 ?
K2 Bi2 K1 66.00(18) 1_545 3_445 ?
K2 Bi2 K1 77.20(18) 3_445 3_445 ?
Bi1 Bi2 K1 66.95(13) . 3_455 ?
K3 Bi2 K1 69.6(10) . 3_455 ?
K3 Bi2 K1 147.4(13) 1_545 3_455 ?
K3 Bi2 K1 72.2(9) 5_566 3_455 ?
K3 Bi2 K1 143.3(12) 5_556 3_455 ?
K2 Bi2 K1 66.00(18) . 3_455 ?
K2 Bi2 K1 133.19(19) 1_545 3_455 ?
K2 Bi2 K1 77.20(17) 3_445 3_455 ?
K1 Bi2 K1 94.3(2) 3_445 3_455 ?
Bi1 Bi2 K2 124.82(15) . 7_556 ?
K3 Bi2 K2 68.9(13) . 7_556 ?
K3 Bi2 K2 68.9(13) 1_545 7_556 ?
K3 Bi2 K2 68.8(12) 5_566 7_556 ?
K3 Bi2 K2 68.8(12) 5_556 7_556 ?
K2 Bi2 K2 78.0(2) . 7_556 ?
K2 Bi2 K2 78.0(2) 1_545 7_556 ?
K2 Bi2 K2 109.31(17) 3_445 7_556 ?
K1 Bi2 K2 132.87(10) 3_445 7_556 ?
K1 Bi2 K2 132.87(10) 3_455 7_556 ?
Bi1 K1 Bi1 101.76(16) . 7_545 ?
Bi1 K1 Bi1 101.76(16) . 7 ?
Bi1 K1 Bi1 95.6(2) 7_545 7 ?
Bi1 K1 Bi2 102.24(17) . 3 ?
Bi1 K1 Bi2 156.0(2) 7_545 3 ?
Bi1 K1 Bi2 80.07(5) 7 3 ?
Bi1 K1 Bi2 102.24(17) . 3_545 ?
Bi1 K1 Bi2 80.07(5) 7_545 3_545 ?
Bi1 K1 Bi2 156.0(2) 7 3_545 ?
Bi2 K1 Bi2 94.3(2) 3 3_545 ?
Bi1 K1 Bi1 133.11(9) . 3 ?
Bi1 K1 Bi1 114.1(2) 7_545 3 ?
Bi1 K1 Bi1 47.68(7) 7 3 ?
Bi2 K1 Bi1 46.63(7) 3 3 ?
Bi2 K1 Bi1 112.5(2) 3_545 3 ?
Bi1 K1 Bi1 133.11(9) . 3_545 ?
Bi1 K1 Bi1 47.68(7) 7_545 3_545 ?
Bi1 K1 Bi1 114.1(2) 7 3_545 ?
Bi2 K1 Bi1 112.5(2) 3 3_545 ?
Bi2 K1 Bi1 46.63(7) 3_545 3_545 ?
Bi1 K1 Bi1 93.77(18) 3 3_545 ?
Bi1 K1 K2 143.5(3) . 3_545 ?
Bi1 K1 K2 102.51(19) 7_545 3_545 ?
Bi1 K1 K2 102.51(19) 7 3_545 ?
Bi2 K1 K2 56.31(13) 3 3_545 ?
Bi2 K1 K2 56.31(13) 3_545 3_545 ?
Bi1 K1 K2 56.23(13) 3 3_545 ?
Bi1 K1 K2 56.23(13) 3_545 3_545 ?
Bi1 K1 K1 145.0(4) . 5_655 ?
Bi1 K1 K1 57.71(15) 7_545 5_655 ?
Bi1 K1 K1 57.71(15) 7 5_655 ?
Bi2 K1 K1 101.4(2) 3 5_655 ?
Bi2 K1 K1 101.4(2) 3_545 5_655 ?
Bi1 K1 K1 56.40(12) 3 5_655 ?
Bi1 K1 K1 56.40(12) 3_545 5_655 ?
K2 K1 K1 71.5(3) 3_545 5_655 ?
Bi1 K1 K3 81.1(9) . 7_556 ?
Bi1 K1 K3 131.59(16) 7_545 7_556 ?
Bi1 K1 K3 131.59(16) 7 7_556 ?
Bi2 K1 K3 52.7(4) 3 7_556 ?
Bi2 K1 K3 52.7(4) 3_545 7_556 ?
Bi1 K1 K3 95.5(6) 3 7_556 ?
Bi1 K1 K3 95.5(6) 3_545 7_556 ?
K2 K1 K3 62.4(9) 3_545 7_556 ?
K1 K1 K3 133.9(9) 5_655 7_556 ?
Bi1 K1 K3 86.0(9) . 3_545 ?
Bi1 K1 K3 130.7(2) 7_545 3_545 ?
Bi1 K1 K3 130.7(2) 7 3_545 ?
Bi2 K1 K3 50.9(3) 3 3_545 ?
Bi2 K1 K3 50.9(3) 3_545 3_545 ?
Bi1 K1 K3 92.1(6) 3 3_545 ?
Bi1 K1 K3 92.1(6) 3_545 3_545 ?
K2 K1 K3 57.5(9) 3_545 3_545 ?
K1 K1 K3 129.1(9) 5_655 3_545 ?
K3 K1 K3 4.9(17) 7_556 3_545 ?
Bi1 K1 K1 51.59(15) . 7_545 ?
Bi1 K1 K1 50.17(12) 7_545 7_545 ?
Bi1 K1 K1 103.8(3) 7 7_545 ?
Bi2 K1 K1 153.8(3) 3 7_545 ?
Bi2 K1 K1 91.62(9) 3_545 7_545 ?
Bi1 K1 K1 149.6(3) 3 7_545 ?
Bi1 K1 K1 89.84(10) 3_545 7_545 ?
K2 K1 K1 143.52(12) 3_545 7_545 ?
K1 K1 K1 102.4(3) 5_655 7_545 ?
K3 K1 K1 114.2(7) 7_556 7_545 ?
K3 K1 K1 117.9(7) 3_545 7_545 ?
Bi2 K2 Bi2 96.2(2) 1_565 . ?
Bi2 K2 Bi1 47.50(8) 1_565 1_565 ?
Bi2 K2 Bi1 115.6(3) . 1_565 ?
Bi2 K2 Bi1 115.6(3) 1_565 . ?
Bi2 K2 Bi1 47.50(8) . . ?
Bi1 K2 Bi1 96.2(3) 1_565 . ?
Bi2 K2 Bi2 131.87(10) 1_565 3 ?
Bi2 K2 Bi2 131.87(10) . 3 ?
Bi1 K2 Bi2 101.27(19) 1_565 3 ?
Bi1 K2 Bi2 101.27(19) . 3 ?
Bi2 K2 Bi2 102.0(2) 1_565 7_556 ?
Bi2 K2 Bi2 102.0(2) . 7_556 ?
Bi1 K2 Bi2 131.86(13) 1_565 7_556 ?
Bi1 K2 Bi2 131.87(13) . 7_556 ?
Bi2 K2 Bi2 70.69(17) 3 7_556 ?
Bi2 K2 K3 52.7(4) 1_565 . ?
Bi2 K2 K3 52.7(4) . . ?
Bi1 K2 K3 96.0(8) 1_565 . ?
Bi1 K2 K3 96.0(8) . . ?
Bi2 K2 K3 154.0(12) 3 . ?
Bi2 K2 K3 83.3(11) 7_556 . ?
Bi2 K2 K3 82.4(7) 1_565 7_566 ?
Bi2 K2 K3 151.3(6) . 7_566 ?
Bi1 K2 K3 84.6(8) 1_565 7_566 ?
Bi1 K2 K3 156.0(4) . 7_566 ?
Bi2 K2 K3 55.4(5) 3 7_566 ?
Bi2 K2 K3 51.0(7) 7_556 7_566 ?
K3 K2 K3 107.8(9) . 7_566 ?
Bi2 K2 K3 151.3(6) 1_565 7_556 ?
Bi2 K2 K3 82.4(7) . 7_556 ?
Bi1 K2 K3 156.0(4) 1_565 7_556 ?
Bi1 K2 K3 84.6(8) . 7_556 ?
Bi2 K2 K3 55.4(5) 3 7_556 ?
Bi2 K2 K3 51.0(7) 7_556 7_556 ?
K3 K2 K3 107.8(9) . 7_556 ?
K3 K2 K3 85.3(15) 7_566 7_556 ?
Bi2 K2 K1 57.70(14) 1_565 3_455 ?
Bi2 K2 K1 57.70(14) . 3_455 ?
Bi1 K2 K1 57.94(15) 1_565 3_455 ?
Bi1 K2 K1 57.94(15) . 3_455 ?
Bi2 K2 K1 144.4(4) 3 3_455 ?
Bi2 K2 K1 144.9(3) 7_556 3_455 ?
K3 K2 K1 61.6(11) . 3_455 ?
K3 K2 K1 137.2(8) 7_566 3_455 ?
K3 K2 K1 137.2(8) 7_556 3_455 ?
Bi2 K2 K3 86.2(6) 1_565 3 ?
Bi2 K2 K3 155.7(7) . 3 ?
Bi1 K2 K3 83.7(8) 1_565 3 ?
Bi1 K2 K3 150.1(3) . 3 ?
Bi2 K2 K3 50.1(4) 3 3 ?
Bi2 K2 K3 54.1(7) 7_556 3 ?
K3 K2 K3 113.8(8) . 3 ?
K3 K2 K3 6.0(4) 7_566 3 ?
K3 K2 K3 83.95(19) 7_556 3 ?
K1 K2 K3 138.8(7) 3_455 3 ?
Bi2 K2 K3 155.7(7) 1_565 3_545 ?
Bi2 K2 K3 86.2(6) . 3_545 ?
Bi1 K2 K3 150.1(3) 1_565 3_545 ?
Bi1 K2 K3 83.7(7) . 3_545 ?
Bi2 K2 K3 50.1(4) 3 3_545 ?
Bi2 K2 K3 54.1(7) 7_556 3_545 ?
K3 K2 K3 113.8(8) . 3_545 ?
K3 K2 K3 83.95(19) 7_566 3_545 ?
K3 K2 K3 6.0(4) 7_556 3_545 ?
K1 K2 K3 138.8(7) 3_455 3_545 ?
K3 K2 K3 82.0(14) 3 3_545 ?
K3 K3 Bi2 122(7) 5_566 1_565 ?
K3 K3 Bi2 122(7) 5_566 . ?
Bi2 K3 Bi2 108.7(6) 1_565 . ?
K3 K3 Bi2 52(6) 5_566 5_566 ?
Bi2 K3 Bi2 76.46(6) 1_565 5_566 ?
Bi2 K3 Bi2 174.0(10) . 5_566 ?
K3 K3 Bi2 52(6) 5_566 5_556 ?
Bi2 K3 Bi2 174.0(10) 1_565 5_556 ?
Bi2 K3 Bi2 76.46(6) . 5_556 ?
Bi2 K3 Bi2 98.2(5) 5_566 5_556 ?
K3 K3 K2 175(10) 5_566 . ?
Bi2 K3 K2 60.3(3) 1_565 . ?
Bi2 K3 K2 60.3(3) . . ?
Bi2 K3 K2 125.8(10) 5_566 . ?
Bi2 K3 K2 125.8(10) 5_556 . ?
K3 K3 K2 104(10) 5_566 7_566 ?
Bi2 K3 K2 60.1(6) 1_565 7_566 ?
Bi2 K3 K2 127.1(16) . 7_566 ?
Bi2 K3 K2 57.9(6) 5_566 7_566 ?
Bi2 K3 K2 119.5(17) 5_556 7_566 ?
K2 K3 K2 72.2(9) . 7_566 ?
K3 K3 K2 104(10) 5_566 7_556 ?
Bi2 K3 K2 127.1(16) 1_565 7_556 ?
Bi2 K3 K2 60.1(6) . 7_556 ?
Bi2 K3 K2 119.5(17) 5_566 7_556 ?
Bi2 K3 K2 57.9(6) 5_556 7_556 ?
K2 K3 K2 72.2(9) . 7_556 ?
K2 K3 K2 85.3(15) 7_566 7_556 ?
K3 K3 K1 51(10) 5_566 7_556 ?
Bi2 K3 K1 122.0(11) 1_565 7_556 ?
Bi2 K3 K1 122.0(11) . 7_556 ?
Bi2 K3 K1 55.1(6) 5_566 7_556 ?
Bi2 K3 K1 55.1(6) 5_556 7_556 ?
K2 K3 K1 124(2) . 7_556 ?
K2 K3 K1 67.5(10) 7_566 7_556 ?
K2 K3 K1 67.5(10) 7_556 7_556 ?
K3 K3 K1 125(10) 5_566 3_455 ?
Bi2 K3 K1 59.5(7) 1_565 3_455 ?
Bi2 K3 K1 59.5(7) . 3_455 ?
Bi2 K3 K1 122.9(13) 5_566 3_455 ?
Bi2 K3 K1 122.9(13) 5_556 3_455 ?
K2 K3 K1 60.9(4) . 3_455 ?
K2 K3 K1 115.8(4) 7_566 3_455 ?
K2 K3 K1 115.8(4) 7_556 3_455 ?
K1 K3 K1 175.1(17) 7_556 3_455 ?
K3 K3 K2 70(10) 5_566 3_445 ?
Bi2 K3 K2 123(2) 1_565 3_445 ?
Bi2 K3 K2 58.1(7) . 3_445 ?
Bi2 K3 K2 116.7(13) 5_566 3_445 ?
Bi2 K3 K2 57.1(6) 5_556 3_445 ?
K2 K3 K2 113.8(8) . 3_445 ?
K2 K3 K2 174.0(4) 7_566 3_445 ?
K2 K3 K2 96.05(19) 7_556 3_445 ?
K1 K3 K2 107.7(4) 7_556 3_445 ?
K1 K3 K2 68.8(11) 3_455 3_445 ?
K3 K3 K2 70(10) 5_566 3_455 ?
Bi2 K3 K2 58.1(7) 1_565 3_455 ?
Bi2 K3 K2 123(2) . 3_455 ?
Bi2 K3 K2 57.1(6) 5_566 3_455 ?
Bi2 K3 K2 116.7(13) 5_556 3_455 ?
K2 K3 K2 113.8(8) . 3_455 ?
K2 K3 K2 96.05(19) 7_566 3_455 ?
K2 K3 K2 174.0(4) 7_556 3_455 ?
K1 K3 K2 107.7(4) 7_556 3_455 ?
K1 K3 K2 68.8(11) 3_455 3_455 ?
K2 K3 K2 82.0(14) 3_445 3_455 ?
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
Bi1 Bi2 2.998(2) . ?
Bi1 Bi1 3.046(3) 5 ?
Bi1 K1 3.665(8) . ?
Bi1 K2 3.723(8) . ?
Bi1 K2 3.723(8) 1_545 ?
Bi1 K1 3.740(6) 7_545 ?
Bi1 K1 3.740(6) 7 ?
Bi1 K1 3.795(5) 3_445 ?
Bi1 K1 3.795(5) 3_455 ?
Bi2 K3 3.409(14) . ?
Bi2 K3 3.409(14) 1_545 ?
Bi2 K3 3.666(13) 5_566 ?
Bi2 K3 3.666(13) 5_556 ?
Bi2 K2 3.721(6) . ?
Bi2 K2 3.721(6) 1_545 ?
Bi2 K2 3.774(9) 3_445 ?
Bi2 K1 3.780(6) 3_445 ?
Bi2 K1 3.780(6) 3_455 ?
Bi2 K2 3.802(11) 7_556 ?
K1 Bi1 3.740(6) 7_545 ?
K1 Bi1 3.740(6) 7 ?
K1 Bi2 3.780(6) 3 ?
K1 Bi2 3.780(6) 3_545 ?
K1 Bi1 3.795(5) 3 ?
K1 Bi1 3.795(5) 3_545 ?
K1 K2 4.086(13) 3_545 ?
K1 K1 4.098(17) 5_655 ?
K1 K3 4.39(5) 7_556 ?
K1 K3 4.11(6) 3_545 ?
K1 K1 4.672(13) 7_545 ?
K2 Bi2 3.721(6) 1_565 ?
K2 Bi1 3.723(8) 1_565 ?
K2 Bi2 3.774(9) 3 ?
K2 Bi2 3.802(11) 7_556 ?
K2 K3 3.95(3) . ?
K2 K3 4.09(6) 7_566 ?
K2 K3 4.09(6) 7_556 ?
K2 K1 4.086(13) 3_455 ?
K2 K3 4.22(6) 3 ?
K2 K3 4.22(6) 3_545 ?
K3 K3 0.45(5) 5_566 ?
K3 Bi2 3.409(14) 1_565 ?
K3 Bi2 3.666(12) 5_566 ?
K3 Bi2 3.666(12) 5_556 ?
K3 K2 4.09(6) 7_566 ?
K3 K2 4.09(6) 7_556 ?
K3 K1 4.39(5) 7_556 ?
K3 K1 4.11(6) 3_455 ?
K3 K2 4.22(6) 3_445 ?
K3 K2 4.22(6) 3_455 ?
