#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (vie 19 de feb de 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/85/2008538.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2008538
loop_
_publ_author_name
'Tillard, Monique'
'Monconduit, Laure'
'Traber, Boris'
'Belin, Claude'
_publ_section_title
;
 K₄Sb₂O₃ containing the Sb₂O₃⁴⁻ anion
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              833
_journal_page_last               835
_journal_paper_doi               10.1107/S0108270198018484
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'K4 Sb2 O3'
_chemical_formula_moiety         'K4 O3 Sb2'
_chemical_formula_sum            'K4 O3 Sb2'
_chemical_formula_weight         447.90
_chemical_name_systematic
;
 potassium oxo antimonide
;
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   6.1420(10)
_cell_length_b                   6.1420(10)
_cell_length_c                   14.395(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7
_cell_volume                     470.29(13)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'local program'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius CAD-4'
_diffrn_measurement_method       ω-1/3θ
_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  0.091
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1070
_diffrn_reflns_theta_full        29.98
_diffrn_reflns_theta_max         29.98
_diffrn_reflns_theta_min         3.83
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.458
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_correction_T_min  0.51
_exptl_absorpt_correction_type   'numerical (SHELX76; Sheldrick, 1976)'
_exptl_crystal_colour            'dark grey'
_exptl_crystal_density_diffrn    3.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       wedge
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.203
_refine_diff_density_min         -1.601
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.0(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_matrix_type           full
_refine_ls_number_parameters     24
_refine_ls_number_reflns         302
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.086
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0608P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.126
_reflns_number_gt                211
_reflns_number_total             302
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            br1231.cif
_cod_data_source_block           br1231
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0608P)^2^] where P = (Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0608P)^2^]
where P = (Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        470.30(10)
_cod_database_code               2008538
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'
'y, x, z+1/2'
'-x, -x+y, z+1/2'
'x-y, -y, z+1/2'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Sb1 .3333 .6667 .8421 .0357(14) Uani d S 1 . . Sb
Sb2 .6667 .3333 .1474(2) .0217(8) Uani d S 1 . . Sb
K1 0 0 .747(2) .0264(13) Uani d S 1 . . K
K2 .6667 .3333 .907(3) .078(11) Uani d S 1 . . K
K3 .3333 .6667 .086(2) .054(6) Uani d S 1 . . K
K4 0 0 .491(2) .060(3) Uani d S 1 . . K
O .1778(15) .356(3) .8793(9) .041(4) Uani d S 1 . . O
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'
Sb Sb -0.5866 1.5461 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O Sb1 O 3_565 2_665 111.0(4) n
O Sb1 O 3_565 . 111.0(4) n
O Sb1 O 2_665 . 111.0(4) y
O Sb1 Sb2 3_565 4_665 107.9(5) n
O Sb1 Sb2 2_665 4_665 107.9(5) n
O Sb1 Sb2 . 4_665 107.9(5) y
O Sb1 K3 3_565 1_556 72.1(5) n
O Sb1 K3 2_665 1_556 72.1(5) n
O Sb1 K3 . 1_556 72.1(5) n
Sb2 Sb1 K3 4_665 1_556 180.000(8) n
O Sb1 K2 3_565 1_565 57.43(15) n
O Sb1 K2 2_665 1_565 57.43(15) n
O Sb1 K2 . 1_565 147.4(8) n
Sb2 Sb1 K2 4_665 1_565 104.7(6) n
K3 Sb1 K2 1_556 1_565 75.3(7) n
O Sb1 K2 3_565 1_455 57.43(14) n
O Sb1 K2 2_665 1_455 147.4(8) n
O Sb1 K2 . 1_455 57.43(14) n
Sb2 Sb1 K2 4_665 1_455 104.7(7) n
K3 Sb1 K2 1_556 1_455 75.3(6) n
K2 Sb1 K2 1_565 1_455 113.8(5) n
O Sb1 K2 3_565 . 147.4(8) n
O Sb1 K2 2_665 . 57.43(14) n
O Sb1 K2 . . 57.43(15) n
Sb2 Sb1 K2 4_665 . 104.7(6) n
K3 Sb1 K2 1_556 . 75.3(6) n
K2 Sb1 K2 1_565 . 113.8(5) n
K2 Sb1 K2 1_455 . 113.8(5) n
O Sb1 K1 3_565 1_565 39.1(6) n
O Sb1 K1 2_665 1_565 123.69(12) n
O Sb1 K1 . 1_565 123.69(12) n
Sb2 Sb1 K1 4_665 1_565 68.8(4) n
K3 Sb1 K1 1_556 1_565 111.2(4) n
K2 Sb1 K1 1_565 1_565 69.0(4) n
K2 Sb1 K1 1_455 1_565 69.0(4) n
K2 Sb1 K1 . 1_565 173.5(8) n
O Sb1 K1 3_565 . 123.69(12) n
O Sb1 K1 2_665 . 123.69(12) n
O Sb1 K1 . . 39.1(6) n
Sb2 Sb1 K1 4_665 . 68.8(4) n
K3 Sb1 K1 1_556 . 111.2(4) n
K2 Sb1 K1 1_565 . 173.5(8) n
K2 Sb1 K1 1_455 . 69.0(4) n
K2 Sb1 K1 . . 69.0(4) n
K1 Sb1 K1 1_565 . 107.7(4) n
O Sb1 K1 3_565 1_665 123.69(12) n
O Sb1 K1 2_665 1_665 39.1(6) n
O Sb1 K1 . 1_665 123.69(12) n
Sb2 Sb1 K1 4_665 1_665 68.8(4) n
K3 Sb1 K1 1_556 1_665 111.2(4) n
K2 Sb1 K1 1_565 1_665 69.0(4) n
K2 Sb1 K1 1_455 1_665 173.5(8) n
K2 Sb1 K1 . 1_665 69.0(4) n
K1 Sb1 K1 1_565 1_665 107.7(4) n
K1 Sb1 K1 . 1_665 107.7(4) n
O Sb1 K4 3_565 4_565 13.2(5) n
O Sb1 K4 2_665 4_565 104.4(4) n
O Sb1 K4 . 4_565 104.4(4) n
Sb2 Sb1 K4 4_665 4_565 121.1(4) n
K3 Sb1 K4 1_556 4_565 58.9(3) n
K2 Sb1 K4 1_565 4_565 56.9(3) n
K2 Sb1 K4 1_455 4_565 56.9(3) n
K2 Sb1 K4 . 4_565 134.2(8) n
K1 Sb1 K4 1_565 4_565 52.3(4) n
K1 Sb1 K4 . 4_565 125.86(15) n
K1 Sb1 K4 1_665 4_565 125.86(15) n
Sb1 Sb2 K2 4_664 1_554 180.000(2) n
Sb1 Sb2 K3 4_664 1_545 104.0(5) n
K2 Sb2 K3 1_554 1_545 76.0(5) n
Sb1 Sb2 K3 4_664 1_655 104.0(5) n
K2 Sb2 K3 1_554 1_655 76.0(5) n
K3 Sb2 K3 1_545 1_655 114.3(4) n
Sb1 Sb2 K3 4_664 . 104.0(5) n
K2 Sb2 K3 1_554 . 76.0(5) n
K3 Sb2 K3 1_545 . 114.3(4) n
K3 Sb2 K3 1_655 . 114.3(4) n
Sb1 Sb2 K1 4_664 4_654 68.1(4) n
K2 Sb2 K1 1_554 4_654 111.9(4) n
K3 Sb2 K1 1_545 4_654 68.9(3) n
K3 Sb2 K1 1_655 4_654 68.9(3) n
K3 Sb2 K1 . 4_654 172.1(6) n
Sb1 Sb2 K1 4_664 4_664 68.1(4) n
K2 Sb2 K1 1_554 4_664 111.9(4) n
K3 Sb2 K1 1_545 4_664 172.1(6) n
K3 Sb2 K1 1_655 4_664 68.9(3) n
K3 Sb2 K1 . 4_664 68.9(3) n
K1 Sb2 K1 4_654 4_664 106.9(4) n
Sb1 Sb2 K1 4_664 4_554 68.1(4) n
K2 Sb2 K1 1_554 4_554 111.9(4) n
K3 Sb2 K1 1_545 4_554 68.9(3) n
K3 Sb2 K1 1_655 4_554 172.1(6) n
K3 Sb2 K1 . 4_554 68.9(3) n
K1 Sb2 K1 4_654 4_554 106.9(4) n
K1 Sb2 K1 4_664 4_554 106.9(4) n
O K1 O . 3 75.1(8) n
O K1 O . 2 75.1(8) n
O K1 O 3 2 75.1(8) n
O K1 K4 . 4 44.7(5) n
O K1 K4 3 4 44.7(5) n
O K1 K4 2 4 44.7(5) n
O K1 K4 . . 135.3(5) n
O K1 K4 3 . 135.3(5) n
O K1 K4 2 . 135.3(5) n
K4 K1 K4 4 . 180.000(8) n
O K1 Sb1 . 1_545 94.1(6) n
O K1 Sb1 3 1_545 24.1(3) n
O K1 Sb1 2 1_545 94.1(6) n
K4 K1 Sb1 4 1_545 68.8(4) n
K4 K1 Sb1 . 1_545 111.2(4) n
O K1 Sb1 . . 24.1(3) n
O K1 Sb1 3 . 94.1(6) n
O K1 Sb1 2 . 94.1(6) n
K4 K1 Sb1 4 . 68.8(4) n
K4 K1 Sb1 . . 111.2(4) n
Sb1 K1 Sb1 1_545 . 107.7(4) n
O K1 Sb1 . 1_445 94.1(6) n
O K1 Sb1 3 1_445 94.1(6) n
O K1 Sb1 2 1_445 24.1(3) n
K4 K1 Sb1 4 1_445 68.8(4) n
K4 K1 Sb1 . 1_445 111.2(4) n
Sb1 K1 Sb1 1_545 1_445 107.7(4) n
Sb1 K1 Sb1 . 1_445 107.7(4) n
O K1 Sb2 . 4_655 126.3(3) n
O K1 Sb2 3 4_655 67.2(3) n
O K1 Sb2 2 4_655 126.3(3) n
K4 K1 Sb2 4 4_655 111.9(4) n
K4 K1 Sb2 . 4_655 68.1(4) n
Sb1 K1 Sb2 1_545 4_655 43.13(5) n
Sb1 K1 Sb2 . 4_655 124.576(18) n
Sb1 K1 Sb2 1_445 4_655 124.576(17) n
O K1 Sb2 . 4 126.3(3) n
O K1 Sb2 3 4 126.3(3) n
O K1 Sb2 2 4 67.2(3) n
K4 K1 Sb2 4 4 111.9(4) n
K4 K1 Sb2 . 4 68.1(4) n
Sb1 K1 Sb2 1_545 4 124.576(17) n
Sb1 K1 Sb2 . 4 124.576(17) n
Sb1 K1 Sb2 1_445 4 43.13(5) n
Sb2 K1 Sb2 4_655 4 106.9(4) n
O K1 Sb2 . 4_665 67.2(3) n
O K1 Sb2 3 4_665 126.3(3) n
O K1 Sb2 2 4_665 126.3(3) n
K4 K1 Sb2 4 4_665 111.9(4) n
K4 K1 Sb2 . 4_665 68.1(4) n
Sb1 K1 Sb2 1_545 4_665 124.576(18) n
Sb1 K1 Sb2 . 4_665 43.13(5) n
Sb1 K1 Sb2 1_445 4_665 124.576(17) n
Sb2 K1 Sb2 4_655 4_665 106.9(4) n
Sb2 K1 Sb2 4 4_665 106.9(4) n
O K1 K2 . 1_455 47.0(3) n
O K1 K2 3 1_455 101.7(9) n
O K1 K2 2 1_455 47.0(3) n
K4 K1 K2 4 1_455 57.0(6) n
K4 K1 K2 . 1_455 123.0(6) n
Sb1 K1 K2 1_545 1_455 125.8(8) n
Sb1 K1 K2 . 1_455 54.0(2) n
Sb1 K1 K2 1_445 1_455 54.0(2) n
Sb2 K1 K2 4_655 1_455 168.9(8) n
Sb2 K1 K2 4 1_455 79.3(3) n
Sb2 K1 K2 4_665 1_455 79.3(3) n
O K2 O 1_655 3 118.4(4) n
O K2 O 1_655 2_655 63.8(6) n
O K2 O 3 2_655 55.1(6) n
O K2 O 1_655 2_665 118.4(4) n
O K2 O 3 2_665 118.4(4) n
O K2 O 2_655 2_665 164.6(16) n
O K2 O 1_655 3_665 55.1(6) n
O K2 O 3 3_665 164.6(16) n
O K2 O 2_655 3_665 118.4(4) n
O K2 O 2_665 3_665 63.8(6) n
O K2 O 1_655 . 164.6(16) n
O K2 O 3 . 63.8(6) n
O K2 O 2_655 . 118.4(4) n
O K2 O 2_665 . 55.1(6) n
O K2 O 3_665 . 118.4(4) n
O K2 Sb2 1_655 1_556 97.4(8) n
O K2 Sb2 3 1_556 97.4(8) n
O K2 Sb2 2_655 1_556 97.4(8) n
O K2 Sb2 2_665 1_556 97.4(8) n
O K2 Sb2 3_665 1_556 97.4(8) n
O K2 Sb2 . 1_556 97.4(8) n
O K2 Sb1 1_655 1_545 90.2(4) n
O K2 Sb1 3 1_545 28.2(3) n
O K2 Sb1 2_655 1_545 28.2(3) n
O K2 Sb1 2_665 1_545 141.2(8) n
O K2 Sb1 3_665 1_545 141.2(8) n
O K2 Sb1 . 1_545 90.2(4) n
Sb2 K2 Sb1 1_556 1_545 104.7(6) n
O K2 Sb1 1_655 1_655 28.2(3) n
O K2 Sb1 3 1_655 141.2(8) n
O K2 Sb1 2_655 1_655 90.2(4) n
O K2 Sb1 2_665 1_655 90.2(4) n
O K2 Sb1 3_665 1_655 28.2(3) n
O K2 Sb1 . 1_655 141.2(8) n
Sb2 K2 Sb1 1_556 1_655 104.7(6) n
Sb1 K2 Sb1 1_545 1_655 113.8(5) n
O K2 Sb1 1_655 . 141.2(8) n
O K2 Sb1 3 . 90.2(4) n
O K2 Sb1 2_655 . 141.2(8) n
O K2 Sb1 2_665 . 28.2(3) n
O K2 Sb1 3_665 . 90.2(4) n
O K2 Sb1 . . 28.2(3) n
Sb2 K2 Sb1 1_556 . 104.7(6) n
Sb1 K2 Sb1 1_545 . 113.8(5) n
Sb1 K2 Sb1 1_655 . 113.8(5) n
O K2 K4 1_655 4_655 41.1(4) n
O K2 K4 3 4_655 90.3(4) n
O K2 K4 2_655 4_655 41.1(4) n
O K2 K4 2_665 4_655 150.7(6) n
O K2 K4 3_665 4_655 90.3(4) n
O K2 K4 . 4_655 150.7(6) n
Sb2 K2 K4 1_556 4_655 71.2(7) n
Sb1 K2 K4 1_545 4_655 67.9(2) n
Sb1 K2 K4 1_655 4_655 67.91(19) n
Sb1 K2 K4 . 4_655 176.0(12) n
O K2 K4 1_655 4_665 90.3(4) n
O K2 K4 3 4_665 150.7(6) n
O K2 K4 2_655 4_665 150.7(6) n
O K2 K4 2_665 4_665 41.1(4) n
O K2 K4 3_665 4_665 41.1(4) n
O K2 K4 . 4_665 90.3(4) n
Sb2 K2 K4 1_556 4_665 71.2(7) n
Sb1 K2 K4 1_545 4_665 176.0(12) n
Sb1 K2 K4 1_655 4_665 67.91(19) n
Sb1 K2 K4 . 4_665 67.91(19) n
K4 K2 K4 4_655 4_665 110.2(6) n
O K3 O 3_564 1_554 49.8(6) n
O K3 O 3_564 2_664 49.8(6) n
O K3 O 1_554 2_664 49.8(6) n
O K3 Sb1 3_564 1_554 29.1(4) n
O K3 Sb1 1_554 1_554 29.1(4) n
O K3 Sb1 2_664 1_554 29.1(4) n
O K3 Sb2 3_564 1_565 88.6(3) n
O K3 Sb2 1_554 1_565 133.1(8) n
O K3 Sb2 2_664 1_565 88.6(3) n
Sb1 K3 Sb2 1_554 1_565 104.0(5) n
O K3 Sb2 3_564 1_455 88.6(3) n
O K3 Sb2 1_554 1_455 88.6(3) n
O K3 Sb2 2_664 1_455 133.1(8) n
Sb1 K3 Sb2 1_554 1_455 104.0(5) n
Sb2 K3 Sb2 1_565 1_455 114.3(4) n
O K3 Sb2 3_564 . 133.1(8) n
O K3 Sb2 1_554 . 88.6(3) n
O K3 Sb2 2_664 . 88.6(3) n
Sb1 K3 Sb2 1_554 . 104.0(5) n
Sb2 K3 Sb2 1_565 . 114.3(4) n
Sb2 K3 Sb2 1_455 . 114.3(4) n
O K3 K4 3_564 4_564 39.8(5) n
O K3 K4 1_554 4_564 84.9(7) n
O K3 K4 2_664 4_564 84.9(7) n
Sb1 K3 K4 1_554 4_564 68.8(6) n
Sb2 K3 K4 1_565 4_564 68.59(18) n
Sb2 K3 K4 1_455 4_564 68.59(18) n
Sb2 K3 K4 . 4_564 172.8(10) n
O K3 K4 3_564 4_554 84.9(7) n
O K3 K4 1_554 4_554 39.8(5) n
O K3 K4 2_664 4_554 84.9(7) n
Sb1 K3 K4 1_554 4_554 68.8(6) n
Sb2 K3 K4 1_565 4_554 172.8(10) n
Sb2 K3 K4 1_455 4_554 68.59(18) n
Sb2 K3 K4 . 4_554 68.59(18) n
K4 K3 K4 4_564 4_554 107.7(6) n
O K3 K4 3_564 4_664 84.9(7) n
O K3 K4 1_554 4_664 84.9(7) n
O K3 K4 2_664 4_664 39.8(5) n
Sb1 K3 K4 1_554 4_664 68.8(6) n
Sb2 K3 K4 1_565 4_664 68.59(18) n
Sb2 K3 K4 1_455 4_664 172.8(10) n
Sb2 K3 K4 . 4_664 68.59(18) n
K4 K3 K4 4_564 4_664 107.7(6) n
K4 K3 K4 4_554 4_664 107.7(6) n
O K3 K1 3_564 4_564 94.0(4) n
O K3 K1 1_554 4_564 132.9(4) n
O K3 K1 2_664 4_564 132.9(4) n
Sb1 K3 K1 1_554 4_564 123.1(5) n
Sb2 K3 K1 1_565 4_564 57.4(2) n
Sb2 K3 K1 1_455 4_564 57.4(2) n
Sb2 K3 K1 . 4_564 132.9(9) n
K4 K3 K1 4_564 4_564 54.3(4) n
K4 K3 K1 4_554 4_564 126.0(2) n
K4 K3 K1 4_664 4_564 126.0(2) n
O K3 K1 3_564 4_664 132.9(4) n
O K3 K1 1_554 4_664 132.9(4) n
O K3 K1 2_664 4_664 94.0(4) n
Sb1 K3 K1 1_554 4_664 123.1(5) n
Sb2 K3 K1 1_565 4_664 57.4(2) n
Sb2 K3 K1 1_455 4_664 132.9(9) n
Sb2 K3 K1 . 4_664 57.4(2) n
K4 K3 K1 4_564 4_664 126.0(2) n
K4 K3 K1 4_554 4_664 126.0(2) n
K4 K3 K1 4_664 4_664 54.3(4) n
K1 K3 K1 4_564 4_664 93.0(7) n
O K4 O 4_554 6_554 82.7(9) n
O K4 O 4_554 5_554 82.7(9) n
O K4 O 6_554 5_554 82.7(9) n
O K4 K1 4_554 4_554 49.7(6) n
O K4 K1 6_554 4_554 49.7(6) n
O K4 K1 5_554 4_554 49.7(6) n
O K4 K1 4_554 . 130.3(6) n
O K4 K1 6_554 . 130.3(6) n
O K4 K1 5_554 . 130.3(6) n
K1 K4 K1 4_554 . 180.000(4) n
O K4 K2 4_554 4_654 55.3(4) n
O K4 K2 6_554 4_654 121.0(10) n
O K4 K2 5_554 4_654 55.3(4) n
K1 K4 K2 4_554 4_654 71.2(7) n
K1 K4 K2 . 4_654 108.8(7) n
O K4 K2 4_554 4_554 55.3(4) n
O K4 K2 6_554 4_554 55.3(4) n
O K4 K2 5_554 4_554 121.0(10) n
K1 K4 K2 4_554 4_554 71.2(7) n
K1 K4 K2 . 4_554 108.8(7) n
K2 K4 K2 4_654 4_554 110.2(7) n
O K4 K2 4_554 4_664 121.0(10) n
O K4 K2 6_554 4_664 55.3(4) n
O K4 K2 5_554 4_664 55.3(4) n
K1 K4 K2 4_554 4_664 71.2(7) n
K1 K4 K2 . 4_664 108.8(7) n
K2 K4 K2 4_654 4_664 110.2(6) n
K2 K4 K2 4_554 4_664 110.2(6) n
O K4 K3 4_554 4_565 126.1(4) n
O K4 K3 6_554 4_565 61.4(6) n
O K4 K3 5_554 4_565 126.1(4) n
K1 K4 K3 4_554 4_565 111.2(6) n
K1 K4 K3 . 4_565 68.8(6) n
K2 K4 K3 4_654 4_565 177.6(12) n
K2 K4 K3 4_554 4_565 71.01(15) n
K2 K4 K3 4_664 4_565 71.01(15) n
O K4 K3 4_554 4_665 126.1(4) n
O K4 K3 6_554 4_665 126.1(4) n
O K4 K3 5_554 4_665 61.4(6) n
K1 K4 K3 4_554 4_665 111.2(6) n
K1 K4 K3 . 4_665 68.8(6) n
K2 K4 K3 4_654 4_665 71.01(15) n
K2 K4 K3 4_554 4_665 177.6(12) n
K2 K4 K3 4_664 4_665 71.01(15) n
K3 K4 K3 4_565 4_665 107.7(6) n
O K4 K3 4_554 4 61.4(6) n
O K4 K3 6_554 4 126.1(4) n
O K4 K3 5_554 4 126.1(4) n
K1 K4 K3 4_554 4 111.2(6) n
K1 K4 K3 . 4 68.8(6) n
K2 K4 K3 4_654 4 71.01(15) n
K2 K4 K3 4_554 4 71.01(15) n
K2 K4 K3 4_664 4 177.6(12) n
K3 K4 K3 4_565 4 107.7(6) n
K3 K4 K3 4_665 4 107.7(6) n
O K4 Sb1 4_554 4_564 89.6(6) n
O K4 Sb1 6_554 4_564 9.2(4) n
O K4 Sb1 5_554 4_564 89.6(6) n
K1 K4 Sb1 4_554 4_564 58.9(3) n
K1 K4 Sb1 . 4_564 121.1(3) n
K2 K4 Sb1 4_654 4_564 130.2(9) n
K2 K4 Sb1 4_554 4_564 55.1(3) n
K2 K4 Sb1 4_664 4_564 55.1(3) n
K3 K4 Sb1 4_565 4_564 52.2(5) n
K3 K4 Sb1 4_665 4_564 125.9(2) n
K3 K4 Sb1 4 4_564 125.9(2) n
Sb1 O K4 . 4 157.6(8) n
Sb1 O K1 . . 116.8(7) n
K4 O K1 4 . 85.5(7) n
Sb1 O K2 . 1_455 94.3(4) n
K4 O K2 4 1_455 83.6(6) n
K1 O K2 . 1_455 93.7(6) n
Sb1 O K2 . . 94.3(4) n
K4 O K2 4 . 83.6(6) n
K1 O K2 . . 93.7(6) n
K2 O K2 1_455 . 164.6(16) n
Sb1 O K3 . 1_556 78.8(6) n
K4 O K3 4 1_556 78.8(6) n
K1 O K3 . 1_556 164.4(8) n
K2 O K3 1_455 1_556 84.6(8) n
K2 O K3 . 1_556 84.6(8) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sb1 O 3_565 1.739(16) y
Sb1 O 2_665 1.739(16) n
Sb1 O . 1.739(16) n
Sb1 Sb2 4_665 2.803(3) y
Sb1 K3 1_556 3.51(3) n
Sb1 K2 1_565 3.667(11) n
Sb1 K2 1_455 3.667(11) n
Sb1 K2 . 3.667(11) n
Sb1 K1 1_565 3.803(10) n
Sb1 K1 . 3.803(10) n
Sb1 K1 1_665 3.803(10) n
Sb1 K4 4_565 4.140(15) n
Sb2 Sb1 4_664 2.803(3) n
Sb2 K2 1_554 3.46(4) n
Sb2 K3 1_545 3.655(8) n
Sb2 K3 1_655 3.655(8) n
Sb2 K3 . 3.655(8) n
Sb2 K1 4_654 3.823(10) n
Sb2 K1 4_664 3.823(10) n
Sb2 K1 4_554 3.823(10) n
K1 O . 2.69(2) n
K1 O 3 2.69(2) n
K1 O 2 2.69(2) n
K1 K4 4 3.51(3) n
K1 K4 . 3.69(3) n
K1 Sb1 1_545 3.803(10) n
K1 Sb1 1_445 3.803(10) n
K1 Sb2 4_655 3.823(10) n
K1 Sb2 4 3.823(10) n
K1 Sb2 4_665 3.823(10) n
K1 K2 1_455 4.23(3) n
K2 O 1_655 3.099(6) n
K2 O 3 3.099(6) n
K2 O 2_655 3.099(6) n
K2 O 2_665 3.099(6) n
K2 O 3_665 3.099(6) n
K2 O . 3.099(6) n
K2 Sb2 1_556 3.46(4) n
K2 Sb1 1_545 3.667(11) n
K2 Sb1 1_655 3.667(11) n
K2 K4 4_655 3.745(15) n
K2 K4 4_665 3.745(15) n
K3 O 3_564 3.40(3) n
K3 O 1_554 3.40(3) n
K3 O 2_664 3.40(3) n
K3 Sb1 1_554 3.51(3) n
K3 Sb2 1_565 3.655(8) n
K3 Sb2 1_455 3.655(8) n
K3 K4 4_564 3.802(15) n
K3 K4 4_554 3.802(15) n
K3 K4 4_664 3.802(15) n
K3 K1 4_564 4.23(2) n
K3 K1 4_664 4.23(2) n
K4 O 4_554 2.48(2) n
K4 O 6_554 2.48(2) n
K4 O 5_554 2.48(2) n
K4 K1 4_554 3.51(3) n
K4 K2 4_654 3.745(15) n
K4 K2 4_554 3.745(15) n
K4 K2 4_664 3.745(15) n
K4 K3 4_565 3.802(15) n
K4 K3 4_665 3.802(15) n
K4 K3 4 3.802(15) n
K4 Sb1 4_564 4.140(15) n
O K4 4 2.48(2) n
O K2 1_455 3.099(6) n
O K3 1_556 3.40(3) n
