#------------------------------------------------------------------------------
#$Date: 2020-01-04 05:10:47 +0200 (Sat, 04 Jan 2020) $
#$Revision: 246543 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/34/4003449.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_4003449
loop_
_publ_author_name
'Wu, Chao'
'Lin, Lin'
'Jiang, Xingxing'
'Lin, Zheshuai'
'Huang, Zhipeng'
'Humphrey, Mark G.'
'Halasyamani, P. Shiv'
'Zhang, Chi'
_publ_section_title
;
 K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound
 with High Laser Damage Threshold
;
_journal_issue                   24
_journal_name_full               'Chemistry of Materials'
_journal_page_first              10100
_journal_paper_doi               10.1021/acs.chemmater.9b03214
_journal_volume                  31
_journal_year                    2019
_chemical_formula_sum            'F4 I K5 O12 W3'
_chemical_formula_weight         1141.95
_space_group_IT_number           6
_space_group_name_Hall           'P -2y'
_space_group_name_H-M_alt        'P 1 m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.0070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   9.7129(5)
_cell_length_b                   3.7122(2)
_cell_length_c                   10.9575(5)
_cell_measurement_reflns_used    8939
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.55
_cell_volume                     386.44(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       'w 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  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9422
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    25.716
_exptl_absorpt_correction_T_max  0.0163
_exptl_absorpt_correction_T_min  0.0023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.907
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.865
_refine_diff_density_min         -2.703
_refine_diff_density_rms         0.612
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         2120
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0713P)²+2.3013P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                2116
_reflns_number_total             2120
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm9b03214_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 4003449.cif.
;
_cod_original_sg_symbol_H-M      Pm
_cod_database_code               4003449
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
W3 W 0.34763(6) 0.0000 0.95332(6) 0.0352(2) Uani 1 2 d S
W2 W 0.71405(7) 0.0000 0.85824(6) 0.03299(18) Uani 1 2 d S
W1 W 0.66692(6) 0.0000 0.50593(5) 0.02997(17) Uani 1 2 d S
F2 F 0.2499(12) 0.0000 0.7664(12) 0.046(3) Uani 1 2 d S
F3 F 0.7826(12) 0.0000 1.0467(11) 0.036(2) Uani 1 2 d S
F4 F 0.4474(12) 0.0000 0.4833(11) 0.040(3) Uani 1 2 d S
F1 F 0.1558(15) 0.0000 0.9676(15) 0.076(6) Uani 1 2 d S
O9 O 0.6354(11) 0.5000 0.5170(15) 0.031(3) Uani 1 2 d SU
O2 O 0.516(3) 0.0000 0.906(2) 0.075(5) Uani 1 2 d SU
O7 O 0.8495(13) 0.0000 0.5610(13) 0.037(3) Uani 1 2 d S
O8 O 0.6481(19) 0.0000 0.3443(12) 0.047(4) Uani 1 2 d S
O3 O 0.321(3) 0.5000 0.929(2) 0.074(7) Uani 1 2 d S
O4 O 0.6294(13) 0.0000 0.6972(11) 0.037(3) Uani 1 2 d S
O6 O 0.684(2) 0.5000 0.8740(19) 0.056(4) Uani 1 2 d SU
O5 O 0.8893(16) 0.0000 0.8366(17) 0.089(9) Uani 1 2 d S
O1 O 0.4141(15) 0.0000 1.1152(14) 0.037(3) Uani 1 2 d S
I1 I 0.03320(19) 0.0000 0.38389(18) 0.0587(5) Uani 1 2 d S
O10 O 0.1430(14) 0.0000 0.2678(13) 0.041(3) Uani 1 2 d S
O11 O -0.0887(16) 0.378(4) 0.2890(15) 0.034(3) Uani 0.50 1 d P
O12 O 0.1435(16) 0.371(5) 0.4918(14) 0.034(3) Uani 0.50 1 d P
K1 K 0.6540(5) 0.5000 0.1591(6) 0.0375(10) Uani 1 2 d S
K2 K 0.3960(6) 0.5000 0.6528(6) 0.0420(12) Uani 1 2 d S
K3 K 0.0102(7) 0.5000 0.0704(6) 0.0392(11) Uani 1 2 d S
K4 K 0.0286(7) 0.5000 0.7155(8) 0.0553(17) Uani 1 2 d S
K5 K 0.3551(8) 0.5000 0.3076(6) 0.0466(14) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
W W -0.8490 6.8722 '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
O1 W3 O2 97.1(10) . .
O1 W3 O3 98.7(6) . 1_545
O2 W3 O3 93.8(9) . 1_545
O1 W3 O3 98.7(6) . .
O2 W3 O3 93.8(9) . .
O3 W3 O3 160.0(12) 1_545 .
O1 W3 F1 94.4(7) . .
O2 W3 F1 168.5(11) . .
O3 W3 F1 84.4(9) 1_545 .
O3 W3 F1 84.4(9) . .
O1 W3 F2 174.4(6) . .
O2 W3 F2 88.5(9) . .
O3 W3 F2 80.9(6) 1_545 .
O3 W3 F2 80.9(6) . .
F1 W3 F2 80.0(6) . .
O1 W3 K1 47.7(4) . 1_556
O2 W3 K1 62.0(7) . 1_556
O3 W3 K1 128.9(7) 1_545 1_556
O3 W3 K1 70.8(7) . 1_556
F1 W3 K1 127.4(4) . 1_556
F2 W3 K1 136.4(2) . 1_556
O1 W3 K1 47.7(4) . 1_546
O2 W3 K1 62.0(7) . 1_546
O3 W3 K1 70.8(7) 1_545 1_546
O3 W3 K1 128.9(7) . 1_546
F1 W3 K1 127.4(4) . 1_546
F2 W3 K1 136.4(2) . 1_546
K1 W3 K1 58.15(7) 1_556 1_546
O1 W3 K2 140.4(3) . 1_545
O2 W3 K2 59.0(7) . 1_545
O3 W3 K2 56.7(8) 1_545 1_545
O3 W3 K2 112.9(7) . 1_545
F1 W3 K2 111.2(4) . 1_545
F2 W3 K2 43.5(3) . 1_545
K1 W3 K2 120.98(12) 1_556 1_545
K1 W3 K2 92.95(10) 1_546 1_545
O1 W3 K2 140.4(3) . .
O2 W3 K2 59.0(7) . .
O3 W3 K2 112.9(7) 1_545 .
O3 W3 K2 56.7(8) . .
F1 W3 K2 111.2(4) . .
F2 W3 K2 43.5(3) . .
K1 W3 K2 92.95(10) 1_556 .
K1 W3 K2 120.98(12) 1_546 .
K2 W3 K2 56.95(9) 1_545 .
O1 W3 K4 136.0(4) . 1_545
O2 W3 K4 115.5(7) . 1_545
O3 W3 K4 52.9(6) 1_545 1_545
O3 W3 K4 107.3(6) . 1_545
F1 W3 K4 54.7(4) . 1_545
F2 W3 K4 39.9(2) . 1_545
K1 W3 K4 176.35(14) 1_556 1_545
K1 W3 K4 123.61(6) 1_546 1_545
K2 W3 K4 56.59(12) 1_545 1_545
K2 W3 K4 83.42(13) . 1_545
O1 W3 K4 136.0(4) . .
O2 W3 K4 115.5(7) . .
O3 W3 K4 107.3(6) 1_545 .
O3 W3 K4 52.9(6) . .
F1 W3 K4 54.7(4) . .
F2 W3 K4 39.9(2) . .
K1 W3 K4 123.61(6) 1_556 .
K1 W3 K4 176.35(14) 1_546 .
K2 W3 K4 83.42(13) 1_545 .
K2 W3 K4 56.59(12) . .
K4 W3 K4 54.42(11) 1_545 .
O5 W2 O4 97.2(7) . .
O5 W2 O6 100.5(7) . .
O4 W2 O6 92.5(7) . .
O5 W2 O6 100.5(7) . 1_545
O4 W2 O6 92.5(7) . 1_545
O6 W2 O6 157.7(12) . 1_545
O5 W2 F3 90.9(7) . .
O4 W2 F3 171.9(6) . .
O6 W2 F3 86.0(6) . .
O6 W2 F3 86.0(6) 1_545 .
O5 W2 O2 173.3(11) . .
O4 W2 O2 89.4(9) . .
O6 W2 O2 79.2(7) . .
O6 W2 O2 79.2(7) 1_545 .
F3 W2 O2 82.5(8) . .
O5 W2 K3 56.8(5) . 1_656
O4 W2 K3 137.9(3) . 1_656
O6 W2 K3 64.8(7) . 1_656
O6 W2 K3 122.4(7) 1_545 1_656
F3 W2 K3 47.9(3) . 1_656
O2 W2 K3 117.7(6) . 1_656
O5 W2 K3 56.8(5) . 1_646
O4 W2 K3 137.9(3) . 1_646
O6 W2 K3 122.4(7) . 1_646
O6 W2 K3 64.8(7) 1_545 1_646
F3 W2 K3 47.9(3) . 1_646
O2 W2 K3 117.7(6) . 1_646
K3 W2 K3 58.70(10) 1_656 1_646
O5 W2 K2 126.4(5) . 1_545
O4 W2 K2 44.1(3) . 1_545
O6 W2 K2 113.8(7) . 1_545
O6 W2 K2 57.8(7) 1_545 1_545
F3 W2 K2 129.8(3) . 1_545
O2 W2 K2 59.1(6) . 1_545
K3 W2 K2 176.82(15) 1_656 1_545
K3 W2 K2 122.09(6) 1_646 1_545
O5 W2 K2 126.4(5) . .
O4 W2 K2 44.1(3) . .
O6 W2 K2 57.8(7) . .
O6 W2 K2 113.8(7) 1_545 .
F3 W2 K2 129.8(3) . .
O2 W2 K2 59.1(6) . .
K3 W2 K2 122.09(6) 1_656 .
K3 W2 K2 176.82(15) 1_646 .
K2 W2 K2 56.93(9) 1_545 .
O5 W2 K1 115.3(5) . 1_556
O4 W2 K1 135.3(3) . 1_556
O6 W2 K1 53.7(6) . 1_556
O6 W2 K1 109.5(6) 1_545 1_556
F3 W2 K1 39.0(2) . 1_556
O2 W2 K1 59.0(6) . 1_556
K3 W2 K1 58.68(11) 1_656 1_556
K3 W2 K1 86.74(11) 1_646 1_556
K2 W2 K1 118.14(11) 1_545 1_556
K2 W2 K1 91.23(9) . 1_556
O5 W2 K1 115.3(5) . 1_546
O4 W2 K1 135.3(3) . 1_546
O6 W2 K1 109.5(6) . 1_546
O6 W2 K1 53.7(6) 1_545 1_546
F3 W2 K1 39.0(2) . 1_546
O2 W2 K1 59.0(6) . 1_546
K3 W2 K1 86.74(12) 1_656 1_546
K3 W2 K1 58.68(11) 1_646 1_546
K2 W2 K1 91.23(9) 1_545 1_546
K2 W2 K1 118.14(11) . 1_546
K1 W2 K1 56.35(8) 1_556 1_546
O8 W1 O7 103.6(8) . .
O8 W1 O9 94.6(5) . 1_545
O7 W1 O9 98.3(3) . 1_545
O8 W1 O9 94.6(5) . .
O7 W1 O9 98.3(3) . .
O9 W1 O9 158.5(7) 1_545 .
O8 W1 F4 89.5(7) . .
O7 W1 F4 166.9(6) . .
O9 W1 F4 80.4(3) 1_545 .
O9 W1 F4 80.4(3) . .
O8 W1 O4 164.8(7) . .
O7 W1 O4 91.6(6) . .
O9 W1 O4 83.0(5) 1_545 .
O9 W1 O4 83.0(5) . .
F4 W1 O4 75.3(5) . .
O8 W1 K5 61.2(5) . 1_545
O7 W1 K5 145.3(2) . 1_545
O9 W1 K5 55.9(4) 1_545 1_545
O9 W1 K5 113.2(4) . 1_545
F4 W1 K5 42.8(2) . 1_545
O4 W1 K5 105.8(3) . 1_545
O8 W1 K5 61.2(5) . .
O7 W1 K5 145.3(2) . .
O9 W1 K5 113.2(4) 1_545 .
O9 W1 K5 55.9(4) . .
F4 W1 K5 42.8(2) . .
O4 W1 K5 105.8(3) . .
K5 W1 K5 58.11(12) 1_545 .
O8 W1 K2 119.3(5) . 1_545
O7 W1 K2 126.1(4) . 1_545
O9 W1 K2 50.5(4) 1_545 1_545
O9 W1 K2 108.3(4) . 1_545
F4 W1 K2 43.9(3) . 1_545
O4 W1 K2 48.4(3) . 1_545
K5 W1 K2 58.12(12) 1_545 1_545
K5 W1 K2 86.67(13) . 1_545
O8 W1 K2 119.3(5) . .
O7 W1 K2 126.1(4) . .
O9 W1 K2 108.3(4) 1_545 .
O9 W1 K2 50.5(4) . .
F4 W1 K2 43.9(3) . .
O4 W1 K2 48.4(3) . .
K5 W1 K2 86.67(13) 1_545 .
K5 W1 K2 58.12(12) . .
K2 W1 K2 57.87(8) 1_545 .
W3 F2 K2 105.7(4) . 1_545
W3 F2 K2 105.7(4) . .
K2 F2 K2 83.7(4) 1_545 .
W3 F2 K4 111.8(4) . 1_545
K2 F2 K4 84.9(2) 1_545 1_545
K2 F2 K4 142.5(6) . 1_545
W3 F2 K4 111.8(4) . .
K2 F2 K4 142.5(6) 1_545 .
K2 F2 K4 84.9(2) . .
K4 F2 K4 82.8(4) 1_545 .
W2 F3 K1 112.4(4) . 1_556
W2 F3 K1 112.4(4) . 1_546
K1 F3 K1 87.8(4) 1_556 1_546
W2 F3 K3 100.1(4) . 1_656
K1 F3 K3 86.22(17) 1_556 1_656
K1 F3 K3 146.6(5) 1_546 1_656
W2 F3 K3 100.1(4) . 1_646
K1 F3 K3 146.6(5) 1_556 1_646
K1 F3 K3 86.22(17) 1_546 1_646
K3 F3 K3 81.0(4) 1_656 1_646
W1 F4 K5 105.3(4) . 1_545
W1 F4 K5 105.3(4) . .
K5 F4 K5 87.2(4) 1_545 .
W1 F4 K2 104.1(4) . .
K5 F4 K2 150.5(5) 1_545 .
K5 F4 K2 86.39(16) . .
W1 F4 K2 104.1(4) . 1_545
K5 F4 K2 86.39(16) 1_545 1_545
K5 F4 K2 150.5(5) . 1_545
K2 F4 K2 85.1(4) . 1_545
W3 F1 K3 129.6(4) . 1_546
W3 F1 K3 129.6(4) . 1_556
K3 F1 K3 86.2(5) 1_546 1_556
W3 F1 K4 97.6(5) . 1_545
K3 F1 K4 80.1(3) 1_546 1_545
K3 F1 K4 126.0(5) 1_556 1_545
W3 F1 K4 97.6(5) . .
K3 F1 K4 126.0(5) 1_546 .
K3 F1 K4 80.1(3) 1_556 .
K4 F1 K4 67.4(4) 1_545 .
W1 O9 W1 158.5(7) 1_565 .
W1 O9 K2 100.6(4) 1_565 .
W1 O9 K2 100.6(4) . .
W1 O9 K5 94.6(4) 1_565 .
W1 O9 K5 94.6(4) . .
K2 O9 K5 73.9(3) . .
W3 O2 W2 178.1(16) . .
W3 O2 K2 93.2(8) . 1_545
W2 O2 K2 88.4(7) . 1_545
W3 O2 K2 93.2(8) . .
W2 O2 K2 88.4(7) . .
K2 O2 K2 67.5(5) 1_545 .
W3 O2 K1 89.6(8) . 1_556
W2 O2 K1 88.8(7) . 1_556
K2 O2 K1 177.2(8) 1_545 1_556
K2 O2 K1 112.79(7) . 1_556
W3 O2 K1 89.6(8) . 1_546
W2 O2 K1 88.8(7) . 1_546
K2 O2 K1 112.79(7) 1_545 1_546
K2 O2 K1 177.2(8) . 1_546
K1 O2 K1 66.8(5) 1_556 1_546
W1 O7 K4 130.9(4) . 1_655
W1 O7 K4 130.9(4) . 1_645
K4 O7 K4 81.3(4) 1_655 1_645
W1 O8 K1 137.2(2) . 1_545
W1 O8 K1 137.2(2) . .
K1 O8 K1 84.5(4) 1_545 .
W1 O8 K5 91.7(6) . 1_545
K1 O8 K5 71.7(3) 1_545 1_545
K1 O8 K5 115.5(6) . 1_545
W1 O8 K5 91.7(6) . .
K1 O8 K5 115.5(6) 1_545 .
K1 O8 K5 71.7(3) . .
K5 O8 K5 67.3(4) 1_545 .
W3 O3 W3 160.0(12) 1_565 .
W3 O3 K2 94.5(8) 1_565 .
W3 O3 K2 94.5(8) . .
W3 O3 K4 99.9(6) 1_565 .
W3 O3 K4 99.9(6) . .
K2 O3 K4 70.4(5) . .
W2 O4 W1 143.9(7) . .
W2 O4 K2 110.5(4) . 1_545
W1 O4 K2 96.8(4) . 1_545
W2 O4 K2 110.5(4) . .
W1 O4 K2 96.8(4) . .
K2 O4 K2 79.9(4) 1_545 .
W2 O6 W2 157.7(12) 1_565 .
W2 O6 K1 97.8(6) 1_565 1_556
W2 O6 K1 97.8(6) . 1_556
W2 O6 K2 93.1(7) 1_565 .
W2 O6 K2 93.1(7) . .
K1 O6 K2 118.7(7) 1_556 .
W2 O5 K4 129.8(5) . 1_655
W2 O5 K4 129.8(5) . 1_645
K4 O5 K4 83.4(4) 1_655 1_645
W2 O5 K3 95.5(6) . 1_656
K4 O5 K3 82.0(3) 1_655 1_656
K4 O5 K3 129.5(6) 1_645 1_656
W2 O5 K3 95.5(6) . 1_646
K4 O5 K3 129.5(6) 1_655 1_646
K4 O5 K3 82.0(3) 1_645 1_646
K3 O5 K3 71.3(4) 1_656 1_646
W3 O1 K1 106.1(5) . 1_556
W3 O1 K1 106.1(5) . 1_546
K1 O1 K1 78.3(4) 1_556 1_546
W3 O1 K5 129.5(5) . 1_556
K1 O1 K5 75.6(3) 1_556 1_556
K1 O1 K5 123.0(5) 1_546 1_556
W3 O1 K5 129.5(5) . 1_546
K1 O1 K5 123.0(5) 1_556 1_546
K1 O1 K5 75.6(3) 1_546 1_546
K5 O1 K5 77.9(4) 1_556 1_546
O10 I1 O12 95.4(6) . .
O10 I1 O12 95.4(6) . 2
O12 I1 O12 88.3(9) . 2
O10 I1 O11 90.3(6) . 2
O12 I1 O11 174.2(6) . 2
O12 I1 O11 90.6(7) 2 2
O10 I1 O11 90.3(6) . .
O12 I1 O11 90.6(7) . .
O12 I1 O11 174.2(6) 2 .
O11 I1 O11 90.0(10) 2 .
O10 I1 K3 46.7(4) . 1_545
O12 I1 K3 142.0(5) . 1_545
O12 I1 K3 96.9(5) 2 1_545
O11 I1 K3 43.8(5) 2 1_545
O11 I1 K3 87.5(5) . 1_545
O10 I1 K3 46.7(4) . .
O12 I1 K3 96.9(5) . .
O12 I1 K3 142.0(5) 2 .
O11 I1 K3 87.5(5) 2 .
O11 I1 K3 43.8(5) . .
K3 I1 K3 57.32(10) 1_545 .
O10 I1 K5 40.0(3) . .
O12 I1 K5 55.6(5) . .
O12 I1 K5 95.8(5) 2 .
O11 I1 K5 130.2(5) 2 .
O11 I1 K5 88.2(5) . .
K3 I1 K5 86.46(12) 1_545 .
K3 I1 K5 58.58(11) . .
O10 I1 K5 40.0(3) . 1_545
O12 I1 K5 95.8(5) . 1_545
O12 I1 K5 55.6(5) 2 1_545
O11 I1 K5 88.2(5) 2 1_545
O11 I1 K5 130.2(5) . 1_545
K3 I1 K5 58.58(11) 1_545 1_545
K3 I1 K5 86.46(12) . 1_545
K5 I1 K5 57.26(10) . 1_545
O10 I1 K4 137.5(4) . .
O12 I1 K4 42.1(5) . .
O12 I1 K4 83.7(5) 2 .
O11 I1 K4 132.1(5) 2 .
O11 I1 K4 91.7(5) . .
K3 I1 K4 175.79(14) 1_545 .
K3 I1 K4 124.19(6) . .
K5 I1 K4 97.64(13) . .
K5 I1 K4 124.60(18) 1_545 .
O10 I1 K4 137.5(4) . 1_545
O12 I1 K4 83.7(5) . 1_545
O12 I1 K4 42.1(5) 2 1_545
O11 I1 K4 91.7(5) 2 1_545
O11 I1 K4 132.1(5) . 1_545
K3 I1 K4 124.19(6) 1_545 1_545
K3 I1 K4 175.79(14) . 1_545
K5 I1 K4 124.60(18) . 1_545
K5 I1 K4 97.64(13) 1_545 1_545
K4 I1 K4 53.99(10) . 1_545
I1 O10 K5 114.8(5) . .
I1 O10 K5 114.8(5) . 1_545
K5 O10 K5 85.3(5) . 1_545
I1 O10 K3 106.5(5) . 1_545
K5 O10 K3 138.2(5) . 1_545
K5 O10 K3 83.7(2) 1_545 1_545
I1 O10 K3 106.5(5) . .
K5 O10 K3 83.7(2) . .
K5 O10 K3 138.2(5) 1_545 .
K3 O10 K3 78.4(4) 1_545 .
O11 O11 I1 135.0(5) 2_565 .
O11 O11 K1 80.2(4) 2_565 1_455
I1 O11 K1 142.8(8) . 1_455
O11 O11 K3 80.7(3) 2_565 .
I1 O11 K3 106.8(6) . .
K1 O11 K3 88.1(5) 1_455 .
O12 O12 I1 134.1(5) 2_565 .
O12 O12 K2 80.0(4) 2_565 .
I1 O12 K2 143.5(8) . .
O12 O12 K4 80.6(4) 2_565 .
I1 O12 K4 111.1(7) . .
K2 O12 K4 83.1(4) . .
O12 O12 K5 81.4(3) 2_565 .
I1 O12 K5 93.8(6) . .
K2 O12 K5 77.0(4) . .
K4 O12 K5 155.2(6) . .
O11 K1 O11 19.7(7) 2_665 1_655
O11 K1 F3 69.5(4) 2_665 1_564
O11 K1 F3 83.5(5) 1_655 1_564
O11 K1 F3 83.5(5) 2_665 1_554
O11 K1 F3 69.5(4) 1_655 1_554
F3 K1 F3 87.8(4) 1_564 1_554
O11 K1 O8 69.6(5) 2_665 1_565
O11 K1 O8 83.2(5) 1_655 1_565
F3 K1 O8 87.4(3) 1_564 1_565
F3 K1 O8 152.6(4) 1_554 1_565
O11 K1 O8 83.2(5) 2_665 .
O11 K1 O8 69.6(5) 1_655 .
F3 K1 O8 152.6(4) 1_564 .
F3 K1 O8 87.4(3) 1_554 .
O8 K1 O8 84.5(4) 1_565 .
O11 K1 O1 145.5(5) 2_665 1_554
O11 K1 O1 127.5(4) 1_655 1_554
F3 K1 O1 142.4(4) 1_564 1_554
F3 K1 O1 85.2(3) 1_554 1_554
O8 K1 O1 114.1(4) 1_565 1_554
O8 K1 O1 63.8(4) . 1_554
O11 K1 O1 127.5(4) 2_665 1_564
O11 K1 O1 145.5(5) 1_655 1_564
F3 K1 O1 85.2(3) 1_564 1_564
F3 K1 O1 142.4(4) 1_554 1_564
O8 K1 O1 63.8(4) 1_565 1_564
O8 K1 O1 114.1(4) . 1_564
O1 K1 O1 78.3(4) 1_554 1_564
O11 K1 O6 104.9(6) 2_665 1_554
O11 K1 O6 104.9(6) 1_655 1_554
F3 K1 O6 53.4(3) 1_564 1_554
F3 K1 O6 53.4(3) 1_554 1_554
O8 K1 O6 137.6(2) 1_565 1_554
O8 K1 O6 137.6(2) . 1_554
O1 K1 O6 94.1(5) 1_554 1_554
O1 K1 O6 94.1(5) 1_564 1_554
O11 K1 O2 134.8(6) 2_665 1_554
O11 K1 O2 121.1(5) 1_655 1_554
F3 K1 O2 98.4(4) 1_564 1_554
F3 K1 O2 51.9(5) 1_554 1_554
O8 K1 O2 155.4(6) 1_565 1_554
O8 K1 O2 99.7(4) . 1_554
O1 K1 O2 49.7(5) 1_554 1_554
O1 K1 O2 92.8(4) 1_564 1_554
O6 K1 O2 45.5(4) 1_554 1_554
O11 K1 O2 121.1(5) 2_665 1_564
O11 K1 O2 134.8(6) 1_655 1_564
F3 K1 O2 51.9(5) 1_564 1_564
F3 K1 O2 98.4(4) 1_554 1_564
O8 K1 O2 99.7(4) 1_565 1_564
O8 K1 O2 155.4(6) . 1_564
O1 K1 O2 92.8(4) 1_554 1_564
O1 K1 O2 49.7(5) 1_564 1_564
O6 K1 O2 45.5(4) 1_554 1_564
O2 K1 O2 66.8(5) 1_554 1_564
O11 K1 K5 121.0(4) 2_665 .
O11 K1 K5 121.0(4) 1_655 .
F3 K1 K5 134.7(2) 1_564 .
F3 K1 K5 134.7(2) 1_554 .
O8 K1 K5 61.8(4) 1_565 .
O8 K1 K5 61.8(4) . .
O1 K1 K5 52.4(3) 1_554 .
O1 K1 K5 52.4(3) 1_564 .
O6 K1 K5 133.3(4) 1_554 .
O2 K1 K5 98.7(4) 1_554 .
O2 K1 K5 98.7(4) 1_564 .
F4 K2 F4 85.1(4) . 1_565
F4 K2 O12 73.3(5) . .
F4 K2 O12 87.0(5) 1_565 .
F4 K2 O12 87.0(5) . 2_565
F4 K2 O12 73.3(5) 1_565 2_565
O12 K2 O12 20.0(8) . 2_565
F4 K2 F2 91.9(3) . .
F4 K2 F2 159.3(5) 1_565 .
O12 K2 F2 72.6(5) . .
O12 K2 F2 86.2(5) 2_565 .
F4 K2 F2 159.3(5) . 1_565
F4 K2 F2 91.9(3) 1_565 1_565
O12 K2 F2 86.2(5) . 1_565
O12 K2 F2 72.6(5) 2_565 1_565
F2 K2 F2 83.7(4) . 1_565
F4 K2 O4 107.5(4) . 1_565
F4 K2 O4 55.5(3) 1_565 1_565
O12 K2 O4 141.5(5) . 1_565
O12 K2 O4 124.1(4) 2_565 1_565
F2 K2 O4 143.9(5) . 1_565
F2 K2 O4 87.2(3) 1_565 1_565
F4 K2 O4 55.5(3) . .
F4 K2 O4 107.5(4) 1_565 .
O12 K2 O4 124.1(4) . .
O12 K2 O4 141.5(5) 2_565 .
F2 K2 O4 87.2(3) . .
F2 K2 O4 143.9(5) 1_565 .
O4 K2 O4 79.9(4) 1_565 .
F4 K2 O9 52.9(3) . .
F4 K2 O9 52.9(3) 1_565 .
O12 K2 O9 111.1(5) . .
O12 K2 O9 111.1(5) 2_565 .
F2 K2 O9 137.69(19) . .
F2 K2 O9 137.69(19) 1_565 .
O4 K2 O9 54.8(3) 1_565 .
O4 K2 O9 54.8(3) . .
F4 K2 O3 137.4(2) . .
F4 K2 O3 137.4(2) 1_565 .
O12 K2 O3 104.8(6) . .
O12 K2 O3 104.8(6) 2_565 .
F2 K2 O3 49.5(3) . .
F2 K2 O3 49.5(3) 1_565 .
O4 K2 O3 99.3(4) 1_565 .
O4 K2 O3 99.3(4) . .
O9 K2 O3 143.5(5) . .
F4 K2 O6 104.5(4) . .
F4 K2 O6 104.5(4) 1_565 .
O12 K2 O6 168.2(4) . .
O12 K2 O6 168.2(4) 2_565 .
F2 K2 O6 96.0(4) . .
F2 K2 O6 96.0(4) 1_565 .
O4 K2 O6 50.3(3) 1_565 .
O4 K2 O6 50.3(3) . .
O9 K2 O6 74.8(5) . .
O3 K2 O6 68.7(5) . .
F4 K2 O2 148.9(5) . 1_565
F4 K2 O2 96.0(4) 1_565 1_565
O12 K2 O2 137.8(6) . 1_565
O12 K2 O2 123.2(5) 2_565 1_565
F2 K2 O2 97.0(4) . 1_565
F2 K2 O2 51.7(4) 1_565 1_565
O4 K2 O2 51.5(5) 1_565 1_565
O4 K2 O2 95.2(4) . 1_565
O9 K2 O2 103.8(5) . 1_565
O3 K2 O2 48.3(5) . 1_565
O6 K2 O2 45.0(4) . 1_565
F1 K3 F1 86.2(5) 1_564 1_554
F1 K3 O11 140.1(5) 1_564 .
F1 K3 O11 123.1(4) 1_554 .
F1 K3 O11 123.1(4) 1_564 2_565
F1 K3 O11 140.1(5) 1_554 2_565
O11 K3 O11 18.6(7) . 2_565
F1 K3 F3 150.0(5) 1_564 1_454
F1 K3 F3 88.7(3) 1_554 1_454
O11 K3 F3 64.9(4) . 1_454
O11 K3 F3 77.6(4) 2_565 1_454
F1 K3 F3 88.7(3) 1_564 1_464
F1 K3 F3 150.0(5) 1_554 1_464
O11 K3 F3 77.6(4) . 1_464
O11 K3 F3 64.9(4) 2_565 1_464
F3 K3 F3 81.0(4) 1_454 1_464
F1 K3 O10 71.8(4) 1_564 1_565
F1 K3 O10 123.4(5) 1_554 1_565
O11 K3 O10 69.4(4) . 1_565
O11 K3 O10 56.2(4) 2_565 1_565
F3 K3 O10 133.7(4) 1_454 1_565
F3 K3 O10 82.5(3) 1_464 1_565
F1 K3 O10 123.4(5) 1_564 .
F1 K3 O10 71.8(4) 1_554 .
O11 K3 O10 56.2(4) . .
O11 K3 O10 69.4(4) 2_565 .
F3 K3 O10 82.5(3) 1_454 .
F3 K3 O10 133.7(4) 1_464 .
O10 K3 O10 78.4(4) 1_565 .
F1 K3 O5 101.6(5) 1_564 1_454
F1 K3 O5 53.5(4) 1_554 1_454
O11 K3 O5 117.4(4) . 1_454
O11 K3 O5 130.4(4) 2_565 1_454
F3 K3 O5 53.1(3) 1_454 1_454
F3 K3 O5 99.0(4) 1_464 1_454
O10 K3 O5 173.2(4) 1_565 1_454
O10 K3 O5 104.8(3) . 1_454
F1 K3 O5 53.5(4) 1_564 1_464
F1 K3 O5 101.6(5) 1_554 1_464
O11 K3 O5 130.4(4) . 1_464
O11 K3 O5 117.4(4) 2_565 1_464
F3 K3 O5 99.0(4) 1_454 1_464
F3 K3 O5 53.1(3) 1_464 1_464
O10 K3 O5 104.8(3) 1_565 1_464
O10 K3 O5 173.2(4) . 1_464
O5 K3 O5 71.3(4) 1_454 1_464
F1 K3 K3 46.9(2) 1_564 1_565
F1 K3 K3 133.1(2) 1_554 1_565
O11 K3 K3 99.3(3) . 1_565
O11 K3 K3 80.7(3) 2_565 1_565
F3 K3 K3 130.52(18) 1_454 1_565
F3 K3 K3 49.48(18) 1_464 1_565
O10 K3 K3 50.80(19) 1_565 1_565
O10 K3 K3 129.20(19) . 1_565
O5 K3 K3 125.7(2) 1_454 1_565
O5 K3 K3 54.3(2) 1_464 1_565
F1 K3 K3 133.1(2) 1_564 1_545
F1 K3 K3 46.9(2) 1_554 1_545
O11 K3 K3 80.7(3) . 1_545
O11 K3 K3 99.3(3) 2_565 1_545
F3 K3 K3 49.48(18) 1_454 1_545
F3 K3 K3 130.52(18) 1_464 1_545
O10 K3 K3 129.20(19) 1_565 1_545
O10 K3 K3 50.80(19) . 1_545
O5 K3 K3 54.3(2) 1_454 1_545
O5 K3 K3 125.7(2) 1_464 1_545
K3 K3 K3 180.0(4) 1_565 1_545
O5 K4 O5 83.4(4) 1_465 1_455
O5 K4 F2 83.8(3) 1_465 1_565
O5 K4 F2 140.6(6) 1_455 1_565
O5 K4 F2 140.6(6) 1_465 .
O5 K4 F2 83.8(3) 1_455 .
F2 K4 F2 82.8(4) 1_565 .
O5 K4 O7 114.8(5) 1_465 1_455
O5 K4 O7 63.4(5) 1_455 1_455
F2 K4 O7 153.7(4) 1_565 1_455
F2 K4 O7 92.0(3) . 1_455
O5 K4 O7 63.4(5) 1_465 1_465
O5 K4 O7 114.8(5) 1_455 1_465
F2 K4 O7 92.0(3) 1_565 1_465
F2 K4 O7 153.7(4) . 1_465
O7 K4 O7 81.3(4) 1_455 1_465
O5 K4 O12 126.5(5) 1_465 2_565
O5 K4 O12 144.2(5) 1_455 2_565
F2 K4 O12 69.5(4) 1_565 2_565
F2 K4 O12 82.2(4) . 2_565
O7 K4 O12 84.3(4) 1_455 2_565
O7 K4 O12 71.9(4) 1_465 2_565
O5 K4 O12 144.2(5) 1_465 .
O5 K4 O12 126.5(5) 1_455 .
F2 K4 O12 82.2(4) 1_565 .
F2 K4 O12 69.5(4) . .
O7 K4 O12 71.9(4) 1_455 .
O7 K4 O12 84.3(4) 1_465 .
O12 K4 O12 18.7(7) 2_565 .
O5 K4 O3 95.4(6) 1_465 .
O5 K4 O3 95.4(6) 1_455 .
F2 K4 O3 49.1(3) 1_565 .
F2 K4 O3 49.1(3) . .
O7 K4 O3 139.0(2) 1_455 .
O7 K4 O3 139.0(2) 1_465 .
O12 K4 O3 100.0(6) 2_565 .
O12 K4 O3 100.0(6) . .
O5 K4 F1 51.0(4) 1_465 1_565
O5 K4 F1 96.3(5) 1_455 1_565
F2 K4 F1 48.1(3) 1_565 1_565
F2 K4 F1 93.8(4) . 1_565
O7 K4 F1 158.1(4) 1_455 1_565
O7 K4 F1 101.8(3) 1_465 1_565
O12 K4 F1 117.4(4) 2_565 1_565
O12 K4 F1 129.8(4) . 1_565
O3 K4 F1 45.1(4) . 1_565
O5 K4 F1 96.3(5) 1_465 .
O5 K4 F1 51.0(4) 1_455 .
F2 K4 F1 93.8(4) 1_565 .
F2 K4 F1 48.1(3) . .
O7 K4 F1 101.8(3) 1_455 .
O7 K4 F1 158.1(4) 1_465 .
O12 K4 F1 129.8(4) 2_565 .
O12 K4 F1 117.4(4) . .
O3 K4 F1 45.1(4) . .
F1 K4 F1 67.4(4) 1_565 .
O5 K4 K4 48.3(2) 1_465 1_565
O5 K4 K4 131.7(2) 1_455 1_565
F2 K4 K4 48.60(18) 1_565 1_565
F2 K4 K4 131.40(18) . 1_565
O7 K4 K4 130.7(2) 1_455 1_565
O7 K4 K4 49.3(2) 1_465 1_565
O12 K4 K4 80.6(4) 2_565 1_565
O12 K4 K4 99.4(4) . 1_565
O3 K4 K4 90.000(2) . 1_565
F1 K4 K4 56.28(18) 1_565 1_565
F1 K4 K4 123.72(18) . 1_565
F4 K5 F4 87.2(4) 1_565 .
F4 K5 O10 135.2(4) 1_565 .
F4 K5 O10 77.0(3) . .
F4 K5 O10 77.0(3) 1_565 1_565
F4 K5 O10 135.2(4) . 1_565
O10 K5 O10 85.3(5) . 1_565
F4 K5 O1 149.2(5) 1_565 1_554
F4 K5 O1 89.5(3) . 1_554
O10 K5 O1 73.2(3) . 1_554
O10 K5 O1 124.3(5) 1_565 1_554
F4 K5 O1 89.5(3) 1_565 1_564
F4 K5 O1 149.2(5) . 1_564
O10 K5 O1 124.3(5) . 1_564
O10 K5 O1 73.2(3) 1_565 1_564
O1 K5 O1 77.9(4) 1_554 1_564
F4 K5 O9 51.3(3) 1_565 .
F4 K5 O9 51.3(3) . .
O10 K5 O9 128.2(3) . .
O10 K5 O9 128.2(3) 1_565 .
O1 K5 O9 104.6(4) 1_554 .
O1 K5 O9 104.6(4) 1_564 .
F4 K5 O12 79.3(4) 1_565 .
F4 K5 O12 66.9(4) . .
O10 K5 O12 55.9(4) . .
O10 K5 O12 69.0(4) 1_565 .
O1 K5 O12 127.0(4) 1_554 .
O1 K5 O12 142.1(4) 1_564 .
O9 K5 O12 96.4(4) . .
F4 K5 O12 66.9(4) 1_565 2_565
F4 K5 O12 79.3(4) . 2_565
O10 K5 O12 69.0(4) . 2_565
O10 K5 O12 55.9(4) 1_565 2_565
O1 K5 O12 142.1(4) 1_554 2_565
O1 K5 O12 127.0(4) 1_564 2_565
O9 K5 O12 96.4(4) . 2_565
O12 K5 O12 17.2(7) . 2_565
F4 K5 O8 51.9(3) 1_565 1_565
F4 K5 O8 98.5(4) . 1_565
O10 K5 O8 170.4(3) . 1_565
O10 K5 O8 103.6(3) 1_565 1_565
O1 K5 O8 98.5(4) 1_554 1_565
O1 K5 O8 56.7(3) 1_564 1_565
O9 K5 O8 48.2(3) . 1_565
O12 K5 O8 130.3(4) . 1_565
O12 K5 O8 118.8(4) 2_565 1_565
F4 K5 O8 98.5(4) 1_565 .
F4 K5 O8 51.9(3) . .
O10 K5 O8 103.6(3) . .
O10 K5 O8 170.4(3) 1_565 .
O1 K5 O8 56.7(3) 1_554 .
O1 K5 O8 98.5(4) 1_564 .
O9 K5 O8 48.2(3) . .
O12 K5 O8 118.8(4) . .
O12 K5 O8 130.3(4) 2_565 .
O8 K5 O8 67.3(4) 1_565 .
F4 K5 K1 98.2(3) 1_565 .
F4 K5 K1 98.2(3) . .
O10 K5 K1 125.2(3) . .
O10 K5 K1 125.2(3) 1_565 .
O1 K5 K1 52.0(3) 1_554 .
O1 K5 K1 52.0(3) 1_564 .
O9 K5 K1 71.1(3) . .
O12 K5 K1 164.9(3) . .
O12 K5 K1 164.9(3) 2_565 .
O8 K5 K1 46.5(2) 1_565 .
O8 K5 K1 46.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W3 O1 1.757(15) .
W3 O2 1.82(2) .
W3 O3 1.885(4) 1_545
W3 O3 1.885(4) .
W3 F1 1.902(14) .
W3 F2 2.071(13) .
W3 K1 3.820(4) 1_556
W3 K1 3.820(4) 1_546
W3 K2 3.893(5) 1_545
W3 K2 3.893(5) .
W3 K4 4.059(7) 1_545
W3 K4 4.059(7) .
W2 O5 1.767(14) .
W2 O4 1.785(12) .
W2 O6 1.892(4) .
W2 O6 1.892(4) 1_545
W2 F3 2.033(12) .
W2 O2 2.09(2) .
W2 K3 3.787(6) 1_656
W2 K3 3.787(6) 1_646
W2 K2 3.894(6) 1_545
W2 K2 3.894(6) .
W2 K1 3.931(5) 1_556
W2 K1 3.931(5) 1_546
W1 O8 1.742(13) .
W1 O7 1.750(13) .
W1 O9 1.889(2) 1_545
W1 O9 1.889(2) .
W1 F4 2.094(11) .
W1 O4 2.201(12) .
W1 K5 3.822(7) 1_545
W1 K5 3.822(7) .
W1 K2 3.837(5) 1_545
W1 K2 3.837(5) .
F2 K2 2.783(10) 1_545
F2 K2 2.783(10) .
F2 K4 2.807(10) 1_545
F2 K4 2.807(10) .
F3 K1 2.677(9) 1_556
F3 K1 2.677(9) 1_546
F3 K3 2.857(10) 1_656
F3 K3 2.857(10) 1_646
F4 K5 2.691(10) 1_545
F4 K5 2.691(10) .
F4 K2 2.744(10) .
F4 K2 2.744(10) 1_545
F1 K3 2.716(12) 1_546
F1 K3 2.716(12) 1_556
F1 K4 3.343(16) 1_545
F1 K4 3.343(16) .
O9 W1 1.889(2) 1_565
O9 K2 3.010(14) .
O9 K5 3.175(16) .
O2 K2 3.34(2) 1_545
O2 K2 3.34(2) .
O2 K1 3.37(2) 1_556
O2 K1 3.37(2) 1_546
O7 K4 2.848(12) 1_655
O7 K4 2.848(12) 1_645
O8 K1 2.760(11) 1_545
O8 K1 2.760(11) .
O8 K5 3.351(17) 1_545
O8 K5 3.351(17) .
O3 W3 1.885(4) 1_565
O3 K2 3.26(3) .
O3 K4 3.29(2) .
O4 K2 2.891(11) 1_545
O4 K2 2.891(11) .
O6 W2 1.892(4) 1_565
O6 K1 3.20(2) 1_556
O6 K2 3.30(3) .
O5 K4 2.789(12) 1_655
O5 K4 2.789(12) 1_645
O5 K3 3.183(16) 1_656
O5 K3 3.183(16) 1_646
O1 K1 2.939(12) 1_556
O1 K1 2.939(12) 1_546
O1 K5 2.952(12) 1_556
O1 K5 2.952(12) 1_546
I1 O10 1.822(12) .
I1 O12 1.980(16) .
I1 O12 1.980(16) 2
I1 O11 1.986(15) 2
I1 O11 1.986(15) .
I1 K3 3.870(6) 1_545
I1 K3 3.870(6) .
I1 K5 3.874(6) .
I1 K5 3.874(6) 1_545
I1 K4 4.089(7) .
I1 K4 4.089(7) 1_545
O10 K5 2.740(12) .
O10 K5 2.740(12) 1_545
O10 K3 2.937(12) 1_545
O10 K3 2.937(12) .
O11 O11 0.90(3) 2_565
O11 K1 2.645(16) 1_455
O11 K3 2.797(18) .
O12 O12 0.95(4) 2_565
O12 K2 2.748(16) .
O12 K4 2.937(18) .
O12 K5 3.201(17) .
K1 O11 2.645(16) 2_665
K1 O11 2.645(16) 1_655
K1 F3 2.677(10) 1_564
K1 F3 2.677(9) 1_554
K1 O8 2.760(11) 1_565
K1 O1 2.939(12) 1_554
K1 O1 2.939(12) 1_564
K1 O6 3.20(2) 1_554
K1 O2 3.37(2) 1_554
K1 O2 3.37(2) 1_564
K1 K5 3.611(7) .
K2 F4 2.744(10) 1_565
K2 O12 2.748(16) 2_565
K2 F2 2.783(10) 1_565
K2 O4 2.891(11) 1_565
K2 O2 3.34(2) 1_565
K3 F1 2.716(12) 1_564
K3 F1 2.716(12) 1_554
K3 O11 2.797(18) 2_565
K3 F3 2.857(10) 1_454
K3 F3 2.857(10) 1_464
K3 O10 2.937(12) 1_565
K3 O5 3.183(16) 1_454
K3 O5 3.183(16) 1_464
K3 K3 3.7122(2) 1_565
K3 K3 3.7122(2) 1_545
K4 O5 2.789(12) 1_465
K4 O5 2.789(12) 1_455
K4 F2 2.807(10) 1_565
K4 O7 2.848(12) 1_455
K4 O7 2.848(12) 1_465
K4 O12 2.937(18) 2_565
K4 F1 3.343(16) 1_565
K4 K4 3.7122(2) 1_565
K5 F4 2.691(10) 1_565
K5 O10 2.740(12) 1_565
K5 O1 2.952(12) 1_554
K5 O1 2.952(12) 1_564
K5 O12 3.201(17) 2_565
K5 O8 3.351(17) 1_565
