#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/31/4103154.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_4103154
loop_
_publ_author_name
'Dmitry V. Peryshkov'
'Alexey A. Popov'
'Steven H. Strauss'
_publ_contact_author_address
;
Colorado State University
Fort Collins
Colorado
80523
USA
;
_publ_contact_author_email       steven.strauss@colostate.edu
_publ_contact_author_fax         +1-(970)-491-1801
_publ_contact_author_name        'S.H. Strauss'
_publ_contact_author_phone       +1-(970)-491-5104
_publ_section_title
;
 Latent Porosity in Potassium Dodecafluoro-closo-dodecaborate(2-).
 Structures and Rapid Room Temperature Interconversions of Crystalline
 K2B12F12, K2(H2O)2B12F12, and K2(H2O)4B12F12 in the Presence of Water
 Vapor
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13902
_journal_page_last               13913
_journal_paper_doi               10.1021/ja105522d
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'B12 F12, 4(H2 O), 2(K)'
_chemical_formula_sum            'B12 F12 H8 K2 O4'
_chemical_formula_weight         507.98
_chemical_name_common
'potassium dodecafluoro-closo-dodecaborate(2-) tetrahydrate'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.830(2)
_cell_angle_beta                 102.056(2)
_cell_angle_gamma                104.958(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3988(3)
_cell_length_b                   8.5982(4)
_cell_length_c                   12.7454(5)
_cell_measurement_reflns_used    9694
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.65
_cell_measurement_theta_min      2.51
_cell_volume                     848.39(6)
_computing_cell_refinement       'APEX2, v. 2.0-2, Bruker AXS, 2006'
_computing_data_collection       'APEX2, v. 2.0-2, Bruker AXS, 2006'
_computing_data_reduction        'APEX2, v. 2.0-2, Bruker AXS, 2006'
_computing_molecular_graphics    'SHELXTL, v. 6.12 UNIX, Bruker AXS'
_computing_publication_material  'SHELXTL, v. 6.12 UNIX, Bruker AXS'
_computing_structure_refinement  'SHELXTL, v. 6.12 UNIX, Bruker AXS'
_computing_structure_solution    'SHELXTL, v. 6.12 UNIX, Bruker AXS'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa APEX2 diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0133
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            39574
_diffrn_reflns_theta_full        29.66
_diffrn_reflns_theta_max         29.66
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  0.8904
_exptl_absorpt_correction_T_min  0.7979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
Sheldrick, G. M., SADABS, v. 2.10, Bruker AXS, Madison, WI
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.342
_exptl_crystal_size_mid          0.281
_exptl_crystal_size_min          0.172
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         4768
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0221
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0302P)²+0.2379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0582
_reflns_number_gt                4465
_reflns_number_total             4768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja105522d_si_003.cif
_cod_data_source_block           ss231
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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_original_formula_sum        '    B12 F12 H8 K2 O4 '
_cod_database_code               4103154
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
F1 F 0.68247(7) 0.70972(7) 0.36076(5) 0.01541(11) Uani 1 1 d .
F2 F 0.31555(7) 0.45657(7) 0.25588(4) 0.01434(11) Uani 1 1 d .
F3 F 0.65351(7) 0.32760(7) 0.33293(4) 0.01390(11) Uani 1 1 d .
F4 F 0.89248(7) 0.58360(7) 0.55146(5) 0.01620(11) Uani 1 1 d .
F5 F 0.70795(7) 0.86368(6) 0.61310(5) 0.01481(11) Uani 1 1 d .
F6 F 0.34927(7) 0.77188(7) 0.43084(5) 0.01418(11) Uani 1 1 d .
B1 B 0.60015(12) 0.61681(12) 0.42436(8) 0.01068(17) Uani 1 1 d .
B2 B 0.39519(12) 0.46756(12) 0.36432(8) 0.01072(17) Uani 1 1 d .
B3 B 0.58132(12) 0.40160(12) 0.40624(8) 0.01051(17) Uani 1 1 d .
B4 B 0.71697(12) 0.54629(12) 0.53071(8) 0.01099(17) Uani 1 1 d .
B5 B 0.61604(12) 0.70063(11) 0.56582(8) 0.01056(17) Uani 1 1 d .
B6 B 0.41718(12) 0.65011(12) 0.46319(8) 0.01041(17) Uani 1 1 d .
F7 F 0.36395(7) 0.16486(7) 0.15252(4) 0.01472(11) Uani 1 1 d .
F8 F 0.12350(7) 0.38114(6) 0.03712(5) 0.01611(11) Uani 1 1 d .
F9 F 0.01324(7) 0.19435(7) 0.22859(4) 0.01538(11) Uani 1 1 d .
F10 F 0.10792(8) -0.15692(7) 0.19455(5) 0.01731(12) Uani 1 1 d .
F11 F 0.26895(7) -0.18071(7) -0.01096(5) 0.01853(12) Uani 1 1 d .
F12 F 0.28097(7) 0.14631(7) -0.11004(5) 0.01890(12) Uani 1 1 d .
B7 B 0.19968(12) 0.09567(12) 0.08543(8) 0.01100(17) Uani 1 1 d .
B8 B 0.07147(12) 0.21103(12) 0.02272(8) 0.01137(17) Uani 1 1 d .
B9 B 0.01139(13) 0.10827(12) 0.12723(8) 0.01151(17) Uani 1 1 d .
B10 B 0.05890(13) -0.08429(12) 0.10842(8) 0.01176(17) Uani 1 1 d .
B11 B 0.14760(13) -0.09992(12) -0.00706(8) 0.01196(17) Uani 1 1 d .
B12 B 0.15574(12) 0.08190(12) -0.06028(8) 0.01187(17) Uani 1 1 d .
O1 O 0.51095(9) 0.94784(9) 0.27858(6) 0.01745(14) Uani 1 1 d D
H1 H 0.5015(19) 1.0261(17) 0.2558(12) 0.026 Uiso 1 1 d D
H2 H 0.4578(19) 0.9358(18) 0.3206(12) 0.026 Uiso 1 1 d D
O2 O 0.60443(10) 0.44225(9) 0.10992(6) 0.01822(14) Uani 1 1 d D
O3 O -0.13041(10) 1.05556(10) 0.39170(6) 0.02075(15) Uani 1 1 d D
H5 H -0.2293(18) 1.0189(19) 0.3608(13) 0.031 Uiso 1 1 d D
H6 H -0.094(2) 1.1226(18) 0.3596(13) 0.031 Uiso 1 1 d D
O4 O -0.04981(11) 0.51984(10) 0.23922(8) 0.02904(19) Uani 1 1 d D
H7 H 0.008(2) 0.524(2) 0.2013(14) 0.044 Uiso 1 1 d D
H8 H -0.049(2) 0.449(2) 0.2652(14) 0.044 Uiso 1 1 d D
K1 K 0.42375(3) 0.65562(2) 0.117279(16) 0.01455(5) Uani 1 1 d .
K2 K 0.03255(3) 0.81659(3) 0.388985(18) 0.02432(6) Uani 1 1 d .
H4 H 0.7042(18) 0.468(2) 0.1425(13) 0.037(4) Uiso 1 1 d D
H3 H 0.562(2) 0.3613(19) 0.1320(14) 0.042(5) Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
K K 0.2009 0.2494 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
B1 F1 K2 125.33(5) . 1_655
B1 F1 K1 110.25(5) . .
K2 F1 K1 119.861(19) 1_655 .
B2 F2 K1 127.76(5) . .
B4 F4 K2 110.15(5) . 1_655
B5 F5 K2 150.57(5) . 2_676
B6 F6 K2 135.82(5) . .
F1 B1 B4 120.97(7) . .
F1 B1 B6 122.39(7) . .
B4 B1 B6 108.39(7) . .
F1 B1 B2 120.47(7) . .
B4 B1 B2 109.28(7) . .
B6 B1 B2 60.36(5) . .
F1 B1 B3 119.79(7) . .
B4 B1 B3 60.84(5) . .
B6 B1 B3 108.80(7) . .
B2 B1 B3 60.50(5) . .
F1 B1 B5 121.92(7) . .
B4 B1 B5 60.32(5) . .
B6 B1 B5 60.14(5) . .
B2 B1 B5 109.22(7) . .
B3 B1 B5 109.48(7) . .
F2 B2 B1 118.50(7) . .
F2 B2 B4 122.85(7) . 2_666
B1 B2 B4 107.53(7) . 2_666
F2 B2 B6 117.79(7) . .
B1 B2 B6 59.72(5) . .
B4 B2 B6 60.02(5) 2_666 .
F2 B2 B3 123.55(7) . .
B1 B2 B3 59.76(5) . .
B4 B2 B3 107.76(7) 2_666 .
B6 B2 B3 107.70(6) . .
F2 B2 B5 126.43(7) . 2_666
B1 B2 B5 107.55(6) . 2_666
B4 B2 B5 60.06(5) 2_666 2_666
B6 B2 B5 108.01(7) . 2_666
B3 B2 B5 59.85(5) . 2_666
F3 B3 B6 121.95(7) . 2_666
F3 B3 B1 121.02(7) . .
B6 B3 B1 107.04(6) 2_666 .
F3 B3 B5 123.62(7) . 2_666
B6 B3 B5 60.15(5) 2_666 2_666
B1 B3 B5 107.72(7) . 2_666
F3 B3 B2 123.27(7) . .
B6 B3 B2 107.69(7) 2_666 .
B1 B3 B2 59.74(5) . .
B5 B3 B2 60.08(5) 2_666 .
F3 B3 B4 119.74(7) . .
B6 B3 B4 59.92(5) 2_666 .
B1 B3 B4 59.32(5) . .
B5 B3 B4 108.19(7) 2_666 .
B2 B3 B4 107.47(6) . .
F4 B4 B1 120.39(7) . .
F4 B4 B2 123.59(7) . 2_666
B1 B4 B2 108.00(7) . 2_666
F4 B4 B6 122.76(7) . 2_666
B1 B4 B6 107.04(7) . 2_666
B2 B4 B6 60.17(5) 2_666 2_666
F4 B4 B5 121.69(7) . .
B1 B4 B5 60.36(5) . .
B2 B4 B5 60.31(5) 2_666 .
B6 B4 B5 108.33(7) 2_666 .
F4 B4 B3 120.00(7) . .
B1 B4 B3 59.83(5) . .
B2 B4 B3 108.09(7) 2_666 .
B6 B4 B3 59.41(5) 2_666 .
B5 B4 B3 108.70(7) . .
F5 B5 B6 120.28(7) . .
F5 B5 B4 122.42(7) . .
B6 B5 B4 107.13(7) . .
F5 B5 B3 123.31(7) . 2_666
B6 B5 B3 59.55(5) . 2_666
B4 B5 B3 107.61(7) . 2_666
F5 B5 B1 120.04(7) . .
B6 B5 B1 59.55(5) . .
B4 B5 B1 59.32(5) . .
B3 B5 B1 106.95(7) 2_666 .
F5 B5 B2 125.01(7) . 2_666
B6 B5 B2 107.22(7) . 2_666
B4 B5 B2 59.63(5) . 2_666
B3 B5 B2 60.08(5) 2_666 2_666
B1 B5 B2 106.65(6) . 2_666
F6 B6 B3 122.22(7) . 2_666
F6 B6 B1 121.42(7) . .
B3 B6 B1 108.14(7) 2_666 .
F6 B6 B4 121.62(7) . 2_666
B3 B6 B4 60.66(5) 2_666 2_666
B1 B6 B4 107.54(6) . 2_666
F6 B6 B5 121.56(7) . .
B3 B6 B5 60.30(5) 2_666 .
B1 B6 B5 60.31(5) . .
B4 B6 B5 108.90(6) 2_666 .
F6 B6 B2 120.33(7) . .
B3 B6 B2 108.81(7) 2_666 .
B1 B6 B2 59.93(5) . .
B4 B6 B2 59.82(5) 2_666 .
B5 B6 B2 109.01(6) . .
B8 F8 K1 140.47(5) . .
B10 F10 K2 136.68(6) . 1_545
B11 F11 K1 136.25(6) . 1_545
B12 F12 K1 155.16(5) . 2_665
F7 B7 B11 118.95(7) . .
F7 B7 B8 124.37(7) . .
B11 B7 B8 107.68(6) . .
F7 B7 B10 120.64(7) . .
B11 B7 B10 59.76(5) . .
B8 B7 B10 107.90(7) . .
F7 B7 B9 124.08(7) . .
B11 B7 B9 107.69(7) . .
B8 B7 B9 60.03(5) . .
B10 B7 B9 59.98(5) . .
F7 B7 B12 121.08(8) . .
B11 B7 B12 59.84(5) . .
B8 B7 B12 59.90(5) . .
B10 B7 B12 107.72(6) . .
B9 B7 B12 107.87(7) . .
F8 B8 B12 121.93(8) . .
F8 B8 B7 124.13(7) . .
B12 B8 B7 60.09(5) . .
F8 B8 B11 120.88(7) . 2
B12 B8 B11 107.18(7) . 2
B7 B8 B11 107.36(7) . 2
F8 B8 B9 123.02(7) . .
B12 B8 B9 107.99(7) . .
B7 B8 B9 60.00(5) . .
B11 B8 B9 59.76(5) 2 .
F8 B8 B10 119.89(7) . 2
B12 B8 B10 59.61(5) . 2
B7 B8 B10 107.55(7) . 2
B11 B8 B10 59.58(5) 2 2
B9 B8 B10 107.62(7) . 2
F9 B9 B11 120.23(7) . 2
F9 B9 B10 123.00(7) . .
B11 B9 B10 107.07(7) 2 .
F9 B9 B7 124.06(7) . .
B11 B9 B7 107.60(7) 2 .
B10 B9 B7 60.00(5) . .
F9 B9 B8 122.02(7) . .
B11 B9 B8 60.10(5) 2 .
B10 B9 B8 107.86(7) . .
B7 B9 B8 59.97(6) . .
F9 B9 B12 120.26(8) . 2
B11 B9 B12 59.70(5) 2 2
B10 B9 B12 59.49(5) . 2
B7 B9 B12 107.65(7) . 2
B8 B9 B12 108.02(7) . 2
F10 B10 B12 122.19(8) . 2
F10 B10 B11 120.44(8) . .
B12 B10 B11 107.83(7) 2 .
F10 B10 B9 123.20(8) . .
B12 B10 B9 60.58(5) 2 .
B11 B10 B9 107.93(7) . .
F10 B10 B7 121.81(7) . .
B12 B10 B7 108.54(7) 2 .
B11 B10 B7 60.02(5) . .
B9 B10 B7 60.02(5) . .
F10 B10 B8 120.02(7) . 2
B12 B10 B8 59.97(5) 2 2
B11 B10 B8 60.04(5) . 2
B9 B10 B8 108.64(7) . 2
B7 B10 B8 108.55(7) . 2
F11 B11 B10 120.74(8) . .
F11 B11 B9 122.04(8) . 2
B10 B11 B9 108.57(7) . 2
F11 B11 B12 121.74(8) . .
B10 B11 B12 108.38(7) . .
B9 B11 B12 60.63(5) 2 .
F11 B11 B7 120.51(7) . .
B10 B11 B7 60.22(5) . .
B9 B11 B7 109.06(7) 2 .
B12 B11 B7 60.21(5) . .
F11 B11 B8 121.32(7) . 2
B10 B11 B8 60.38(6) . 2
B9 B11 B8 60.14(5) 2 2
B12 B11 B8 108.80(7) . 2
B7 B11 B8 108.98(7) . 2
F12 B12 B10 121.69(8) . 2
F12 B12 B11 121.87(8) . .
B10 B12 B11 107.40(7) 2 .
F12 B12 B8 121.98(7) . .
B10 B12 B8 60.43(5) 2 .
B11 B12 B8 107.85(7) . .
F12 B12 B7 122.07(7) . .
B10 B12 B7 108.13(7) 2 .
B11 B12 B7 59.95(5) . .
B8 B12 B7 60.01(5) . .
F12 B12 B9 120.99(7) . 2
B10 B12 B9 59.93(5) 2 2
B11 B12 B9 59.67(5) . 2
B8 B12 B9 108.49(7) . 2
B7 B12 B9 108.08(7) . 2
K1 O1 H1 115.0(11) . .
K1 O1 H2 110.6(11) . .
H1 O1 H2 108.6(15) . .
K1 O2 K1 103.47(2) . 2_665
K1 O2 H4 122.0(12) . .
K1 O2 H4 108.1(12) 2_665 .
K1 O2 H3 111.1(12) . .
K1 O2 H3 108.7(12) 2_665 .
H4 O2 H3 103.1(16) . .
K2 O3 K2 98.42(3) 2_576 .
K2 O3 H5 119.9(12) 2_576 .
K2 O3 H5 112.1(11) . .
K2 O3 H6 110.6(12) 2_576 .
K2 O3 H6 111.6(12) . .
H5 O3 H6 104.4(15) . .
K2 O4 H7 111.7(15) . .
K2 O4 H8 113.4(14) . .
H7 O4 H8 109(2) . .
F12 K1 F11 87.87(2) 2_665 1_565
F12 K1 O2 79.97(2) 2_665 .
F11 K1 O2 140.84(2) 1_565 .
F12 K1 F2 135.720(19) 2_665 .
F11 K1 F2 132.629(19) 1_565 .
O2 K1 F2 76.46(2) . .
F12 K1 O1 71.03(2) 2_665 .
F11 K1 O1 83.91(2) 1_565 .
O2 K1 O1 125.43(2) . .
F2 K1 O1 93.26(2) . .
F12 K1 O2 81.33(2) 2_665 2_665
F11 K1 O2 64.84(2) 1_565 2_665
O2 K1 O2 76.53(2) . 2_665
F2 K1 O2 127.35(2) . 2_665
O1 K1 O2 138.92(2) . 2_665
F12 K1 F8 155.299(19) 2_665 .
F11 K1 F8 88.172(18) 1_565 .
O2 K1 F8 87.87(2) . .
F2 K1 F8 59.756(16) . .
O1 K1 F8 132.64(2) . .
O2 K1 F8 74.93(2) 2_665 .
F12 K1 F1 74.871(17) 2_665 .
F11 K1 F1 141.436(17) 1_565 .
O2 K1 F1 70.405(19) . .
F2 K1 F1 62.100(15) . .
O1 K1 F1 58.029(18) . .
O2 K1 F1 141.90(2) 2_665 .
F8 K1 F1 121.120(16) . .
F12 K1 K1 78.091(15) 2_665 2_665
F11 K1 K1 101.567(15) 1_565 2_665
O2 K1 K1 39.596(16) . 2_665
F2 K1 K1 104.655(14) . 2_665
O1 K1 K1 148.450(18) . 2_665
O2 K1 K1 36.933(15) 2_665 2_665
F8 K1 K1 78.850(14) . 2_665
F1 K1 K1 107.973(12) . 2_665
F12 K1 H3 93.6(3) 2_665 .
F11 K1 H3 147.5(3) 1_565 .
O2 K1 H3 14.4(3) . .
F2 K1 H3 62.8(3) . .
O1 K1 H3 127.2(3) . .
O2 K1 H3 83.2(3) 2_665 .
F8 K1 H3 77.1(3) . .
F1 K1 H3 69.2(3) . .
K1 K1 H3 47.5(3) 2_665 .
O3 K2 F10 144.96(2) 2_576 1_565
O3 K2 F6 82.16(2) 2_576 .
F10 K2 F6 79.744(18) 1_565 .
O3 K2 O3 81.58(3) 2_576 .
F10 K2 O3 95.18(2) 1_565 .
F6 K2 O3 142.76(2) . .
O3 K2 O4 140.94(3) 2_576 .
F10 K2 O4 65.12(2) 1_565 .
F6 K2 O4 82.13(2) . .
O3 K2 O4 129.32(3) . .
O3 K2 F1 98.97(2) 2_576 1_455
F10 K2 F1 110.796(18) 1_565 1_455
F6 K2 F1 152.567(19) . 1_455
O3 K2 F1 63.52(2) . 1_455
O4 K2 F1 80.02(2) . 1_455
O3 K2 F5 82.37(2) 2_576 2_676
F10 K2 F5 63.564(17) 1_565 2_676
F6 K2 F5 71.826(17) . 2_676
O3 K2 F5 72.96(2) . 2_676
O4 K2 F5 125.41(2) . 2_676
F1 K2 F5 135.600(18) 1_455 2_676
O3 K2 F4 61.63(2) 2_576 1_455
F10 K2 F4 149.399(18) 1_565 1_455
F6 K2 F4 94.653(16) . 1_455
O3 K2 F4 106.51(2) . 1_455
O4 K2 F4 84.35(2) . 1_455
F1 K2 F4 63.049(16) 1_455 1_455
F5 K2 F4 143.221(16) 2_676 1_455
O3 K2 K2 41.152(18) 2_576 2_576
F10 K2 K2 126.641(17) 1_565 2_576
F6 K2 K2 116.112(15) . 2_576
O3 K2 K2 40.429(17) . 2_576
O4 K2 K2 158.52(2) . 2_576
F1 K2 K2 78.789(14) 1_455 2_576
F5 K2 K2 73.616(13) 2_676 2_576
F4 K2 K2 82.962(13) 1_455 2_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 B1 1.3860(11) .
F1 K2 2.7714(6) 1_655
F1 K1 3.2843(6) .
F2 B2 1.3812(11) .
F2 K1 2.7698(6) .
F3 B3 1.3780(11) .
F4 B4 1.3830(11) .
F4 K2 3.2803(7) 1_655
F5 B5 1.3828(11) .
F5 K2 3.0433(6) 2_676
F6 B6 1.3907(10) .
F6 K2 2.7398(6) .
B1 B4 1.7809(14) .
B1 B6 1.7860(14) .
B1 B2 1.7899(14) .
B1 B3 1.7902(13) .
B1 B5 1.7997(14) .
B2 B4 1.7913(14) 2_666
B2 B6 1.7976(14) .
B2 B3 1.8036(14) .
B2 B5 1.8036(14) 2_666
B3 B6 1.7857(14) 2_666
B3 B5 1.7994(14) 2_666
B3 B4 1.8083(14) .
B4 B2 1.7912(14) 2_666
B4 B6 1.7949(14) 2_666
B4 B5 1.7991(14) .
B5 B6 1.7966(14) .
B5 B3 1.7993(14) 2_666
B5 B2 1.8036(14) 2_666
B6 B3 1.7856(14) 2_666
B6 B4 1.7949(14) 2_666
F7 B7 1.3841(10) .
F8 B8 1.3850(10) .
F8 K1 2.8432(6) .
F9 B9 1.3816(11) .
F10 B10 1.3853(11) .
F10 K2 2.7107(6) 1_545
F11 B11 1.3783(11) .
F11 K1 2.6655(6) 1_545
F12 B12 1.3787(11) .
F12 K1 2.6501(6) 2_665
B7 B11 1.7904(14) .
B7 B8 1.7937(14) .
B7 B10 1.7938(14) .
B7 B9 1.7942(14) .
B7 B12 1.7952(14) .
B8 B12 1.7919(14) .
B8 B11 1.7940(14) 2
B8 B9 1.7949(14) .
B8 B10 1.8001(13) 2
B9 B11 1.7879(14) 2
B9 B10 1.7936(14) .
B9 B12 1.8051(14) 2
B10 B12 1.7854(14) 2
B10 B11 1.7856(14) .
B10 B8 1.8001(13) 2
B11 B9 1.7879(14) 2
B11 B12 1.7885(14) .
B11 B8 1.7940(14) 2
B12 B10 1.7854(14) 2
B12 B9 1.8051(14) 2
O1 K1 2.8126(8) .
O1 H1 0.789(13) .
O1 H2 0.768(13) .
O2 K1 2.6685(7) .
O2 K1 2.8306(8) 2_665
O2 H4 0.809(14) .
O2 H3 0.816(14) .
O3 K2 2.7070(8) 2_576
O3 K2 2.7469(9) .
O3 H5 0.797(14) .
O3 H6 0.792(13) .
O4 K2 2.7703(9) .
O4 H7 0.751(14) .
O4 H8 0.736(14) .
K1 F12 2.6500(6) 2_665
K1 F11 2.6655(6) 1_565
K1 O2 2.8306(8) 2_665
K1 K1 4.3188(4) 2_665
K1 H3 3.059(16) .
K2 O3 2.7069(8) 2_576
K2 F10 2.7108(6) 1_565
K2 F1 2.7714(6) 1_455
K2 F5 3.0434(6) 2_676
K2 F4 3.2803(7) 1_455
K2 K2 4.1293(5) 2_576
