#------------------------------------------------------------------------------
#$Date: 2019-11-03 17:24:51 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221959 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/89/4128923.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_4128923
loop_
_publ_author_name
'Turo, Michael J.'
'Chen, Linfeng'
'Moore, Curtis E.'
'Schimpf, Alina M.'
_publ_section_title
;
 Co²⁺-Linked
 [NaP₅W₃₀O₁₁₀]¹⁴⁻: A
 Redox-Active Metal Oxide Framework with High Electron Density.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4553
_journal_page_last               4557
_journal_paper_doi               10.1021/jacs.9b00866
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety
'0.13(Co32 K28 Li12 Na8 O1008 P40 W240), 0.5(O)'
_chemical_formula_sum            'Co4 K3.5 Li1.5 Na O126.5 P5 W30'
_chemical_formula_weight         8100.32
_space_group_crystal_system      orthorhombic
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_audit_creation_date             2018-10-02
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   52.0370(13)
_cell_length_b                   21.5548(5)
_cell_length_c                   26.1839(7)
_cell_measurement_reflns_used    9240
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      25.265
_cell_measurement_theta_min      2.166
_cell_volume                     29369.1(13)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2016)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX-II CCD'
_diffrn_detector_area_resol_mean 8.258
_diffrn_detector_type            'CCD Area Detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II TXS'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       62
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            323474
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.389
_diffrn_reflns_theta_min         1.224
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_type              'Bruker TXS'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    24.080
_exptl_absorpt_correction_T_max  0.0916
_exptl_absorpt_correction_T_min  0.0577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0782 before and 0.0563 after correction. The Ratio of minimum to maximum transmission is 0.6299. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            Pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    3.664
_exptl_crystal_description       Block
_exptl_crystal_F_000             27976
_exptl_crystal_size_max          0.053
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.021
_refine_diff_density_max         3.259
_refine_diff_density_min         -3.175
_refine_diff_density_rms         0.392
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.222
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1012
_refine_ls_number_reflns         14054
_refine_ls_number_restraints     1632
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0300P)²+5248.0449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1533
_refine_ls_wR_factor_ref         0.1653
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11724
_reflns_number_total             14054
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b00866_si_002.cif
_cod_data_source_block           nativeImma
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_colour_primary' value 'Pink' was changed to
'pink' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_formula_sum        'Co4 K3.50 Li1.50 Na O126.50 P5 W30'
_cod_database_code               4128923
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.632
_shelx_estimated_absorpt_t_min   0.362
_olex2_refinement_description
;
1. Shared sites
{K2B, Li1}
2. Uiso/Uaniso restraints and constraints
Uanis(Co4A) = Uanis(Co4B)
Uanis(Co1) = Uanis(Co2)
Uanis(Co3) = Uanis(Co1)
Uanis(K2B) = Uanis(Li1)
Uanis(O43) = Uanis(O2BA) = Uanis(Co4B) = Uanis(Co4A)
Uanis(O81) = Uanis(O0CA)
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Others
 Sof(Co4A)=0.25*(1-FVAR(2))
 Sof(Co4B)=0.25*FVAR(2)
 Sof(Co2)=1-FVAR(2)
 Sof(Co1)=FVAR(2)
 Fixed Sof: W15B(0.5) W16(0.5) W14(0.5) W14B(0.5) W15(0.5) P5B(0.25) P4B(0.25)
 Na2(0.25) P4(0.25) P5(0.25) P6(0.25) O73(0.5) O76(0.5) O82(0.5) O44(0.5)
 O84(0.5) O69(0.5) O83(0.5) O72(0.5) O75(0.5) O70(0.5) O40(0.5) O42(0.5)
 O41(0.5) Co3(0.25) O79(0.5) O87(0.5) O71(0.5) O85(0.5) O74(0.5) O86(0.5)
 Co2B(0.25) Co2A(0.25) O43(0.25) O77(0.5) Na1(0.25) O2BA(0.25) O0CA(0.25)
 O81(0.25) O6DA(0.25) K3(0.25) K1(0.25) Li1(0.75) K2B(0.25) O78(0.25)
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'-x, y+1/2, -z'
'x, -y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'x, -y-1/2, z'
'-x, y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
W2 W 0.53595(2) 0.40648(4) 0.38429(3) 0.0323(2) Uani 1 1 d . U . . .
W4 W 0.55756(2) 0.40638(4) 0.24847(4) 0.0324(2) Uani 1 1 d . U . . .
W8 W 0.500000 0.40822(6) 0.16366(5) 0.0337(3) Uani 1 2 d S TU P . .
W1 W 0.53657(2) 0.32665(5) 0.50839(4) 0.0478(3) Uani 1 1 d . U . . .
W3 W 0.59506(2) 0.32650(5) 0.42420(5) 0.0474(3) Uani 1 1 d . U . . .
W6 W 0.59525(2) 0.32657(5) 0.14980(4) 0.0480(3) Uani 1 1 d . U . . .
W5 W 0.61723(2) 0.32657(5) 0.28634(5) 0.0480(3) Uani 1 1 d . U . . .
W7 W 0.53619(2) 0.32672(5) 0.06415(4) 0.0501(3) Uani 1 1 d . U . . .
W9 W 0.63500(2) 0.67371(5) 0.29547(5) 0.0520(3) Uani 1 1 d . U . . .
W10 W 0.64336(2) 0.67360(5) 0.15191(5) 0.0519(3) Uani 1 1 d . U . . .
W13 W 0.82964(2) 0.67319(5) 0.07879(5) 0.0527(3) Uani 1 1 d . U . . .
W11 W 0.69250(2) 0.67342(5) 0.04587(4) 0.0532(3) Uani 1 1 d . U . . .
W12 W 0.76382(3) 0.67349(5) 0.01844(4) 0.0546(3) Uani 1 1 d . U . . .
W15B W 0.70565(4) 0.59294(8) 0.16691(8) 0.0336(4) Uani 0.5 1 d . U . A 2
W16 W 0.68885(4) 0.59313(8) 0.23555(8) 0.0361(4) Uani 0.5 1 d . U . A 1
W14 W 0.80219(4) 0.59350(8) 0.19150(8) 0.0351(4) Uani 0.5 1 d . U . A 1
W14B W 0.77614(4) 0.59307(8) 0.14019(8) 0.0365(4) Uani 0.5 1 d . U . A 2
W15 W 0.73730(4) 0.59341(9) 0.13102(8) 0.0357(4) Uani 0.5 1 d . U . A 1
Co1 Co 0.58650(13) 0.5560(3) 0.2764(3) 0.0865(18) Uani 0.765(8) 1 d . U . B 1
P3 P 0.500000 0.250000 0.1534(5) 0.038(3) Uani 1 4 d S TU P . .
O6 O 0.5301(3) 0.3813(7) 0.4539(6) 0.036(2) Uani 1 1 d . U . . .
P5B P 0.7784(3) 0.750000 0.1288(6) 0.034(3) Uani 0.5 2 d S TU P A 2
O17 O 0.6362(4) 0.250000 0.2861(9) 0.040(3) Uani 1 2 d S TU P . .
O2 O 0.500000 0.3220(10) 0.5183(8) 0.041(3) Uani 1 2 d S TU P . .
O11 O 0.5707(3) 0.3799(7) 0.3953(6) 0.038(2) Uani 1 1 d . U . . .
O16 O 0.6114(3) 0.3202(8) 0.3582(6) 0.040(2) Uani 1 1 d . U . . .
O64 O 0.8003(3) 0.6794(8) 0.0344(6) 0.047(3) Uani 1 1 d . U . . .
O61 O 0.7664(5) 0.750000 -0.0184(9) 0.050(4) Uani 1 2 d S TU P . .
P4B P 0.7011(3) 0.750000 0.1589(7) 0.036(3) Uani 0.5 2 d S TU P A 2
O5 O 0.5717(3) 0.3225(7) 0.4827(6) 0.040(3) Uani 1 1 d . U . . .
O15 O 0.6165(3) 0.3771(8) 0.4519(7) 0.045(3) Uani 1 1 d . U . . .
O14 O 0.6101(4) 0.250000 0.4469(9) 0.040(3) Uani 1 2 d S TU P . .
O23 O 0.5258(3) 0.4122(7) 0.2166(6) 0.035(2) Uani 1 1 d . U . . .
O19 O 0.6424(3) 0.3781(8) 0.2901(7) 0.045(3) Uani 1 1 d . U . . .
O21 O 0.5890(3) 0.3810(7) 0.2831(6) 0.036(2) Uani 1 1 d . U . . .
O12 O 0.5413(3) 0.4841(7) 0.3961(6) 0.041(3) Uani 1 1 d . U . . .
O3 O 0.5430(3) 0.3774(8) 0.5566(6) 0.048(3) Uani 1 1 d . U . . .
O49 O 0.6634(4) 0.750000 0.2834(10) 0.044(3) Uani 1 2 d S TU P . .
O20 O 0.6156(3) 0.3226(7) 0.2124(6) 0.038(2) Uani 1 1 d . U . . .
O47 O 0.6169(4) 0.750000 0.3019(10) 0.048(4) Uani 1 2 d S TU P . .
O33 O 0.500000 0.3224(11) 0.0443(8) 0.041(4) Uani 1 2 d S TU P . .
O24 O 0.5743(3) 0.3803(7) 0.1864(6) 0.037(2) Uani 1 1 d . U . . .
O66 O 0.8426(5) 0.750000 0.0519(9) 0.043(4) Uani 1 2 d S TU P . .
O68 O 0.8115(3) 0.6186(8) 0.1205(6) 0.045(3) Uani 1 1 d . U . . .
O38 O 0.6100(3) 0.6251(8) 0.3041(9) 0.060(4) Uani 1 1 d . U . . .
O30 O 0.5690(3) 0.3219(7) 0.0991(6) 0.040(3) Uani 1 1 d . U . . .
O26 O 0.6098(4) 0.250000 0.1267(8) 0.039(3) Uani 1 2 d S TU P . .
O34 O 0.500000 0.4856(10) 0.1462(8) 0.038(4) Uani 1 2 d S TU P . .
O25 O 0.6150(3) 0.3780(8) 0.1181(6) 0.047(3) Uani 1 1 d . U . . .
O22 O 0.5661(3) 0.4844(7) 0.2453(7) 0.048(3) Uani 1 1 d . U . . .
O45 O 0.6626(3) 0.6189(8) 0.2856(7) 0.048(3) Uani 1 1 d . U . . .
O62 O 0.7606(5) 0.750000 0.0773(9) 0.046(3) Uani 1 2 d S TU P . .
O65 O 0.8471(3) 0.6233(8) 0.0418(7) 0.048(4) Uani 1 1 d . U . . .
O56 O 0.7071(4) 0.750000 0.0967(9) 0.042(3) Uani 1 2 d S TU P . .
O63 O 0.7607(3) 0.6180(8) 0.0729(6) 0.047(3) Uani 1 1 d . U . . .
O53 O 0.6265(4) 0.750000 0.1364(10) 0.049(4) Uani 1 2 d S TU P . .
Na2 Na 0.750000 0.6839(13) 0.250000 0.038(5) Uani 0.5 2 d S TU P . .
O60 O 0.7671(3) 0.6244(8) -0.0313(6) 0.050(3) Uani 1 1 d . U . . .
O31 O 0.5460(3) 0.3787(8) 0.0175(6) 0.044(3) Uani 1 1 d . U . . .
O55 O 0.7058(3) 0.6177(7) 0.0944(6) 0.044(2) Uani 1 1 d . U . . .
O51 O 0.6687(3) 0.6182(8) 0.1759(7) 0.047(3) Uani 1 1 d . U . . .
P4 P 0.6830(3) 0.750000 0.2348(7) 0.033(3) Uani 0.5 2 d S TU P A 1
P5 P 0.7358(3) 0.750000 0.1199(7) 0.036(3) Uani 0.5 2 d S TU P A 1
O35 O 0.500000 0.3085(10) 0.1860(8) 0.034(3) Uani 1 2 d S TU P . .
O36 O 0.5627(5) 0.5814(9) 0.3396(10) 0.092(6) Uani 1 1 d . U . . .
O54 O 0.6619(3) 0.6789(8) 0.0883(7) 0.048(3) Uani 1 1 d . U . . .
O52 O 0.6199(3) 0.6227(8) 0.1305(7) 0.052(4) Uani 1 1 d . U . . .
O57 O 0.6833(4) 0.750000 0.0129(9) 0.045(4) Uani 1 2 d S TU P . .
O32 O 0.5424(5) 0.250000 0.0301(9) 0.048(4) Uani 1 2 d S TU P . .
O59 O 0.7260(3) 0.6775(8) 0.0177(7) 0.050(3) Uani 1 1 d . U . . .
O80 O 0.9023(4) 0.6220(14) 0.0790(10) 0.101(9) Uani 1 1 d . U . . .
O67 O 0.8099(4) 0.750000 0.1217(9) 0.042(3) Uani 1 2 d S TU P . .
O50 O 0.6696(4) 0.750000 0.1766(10) 0.047(3) Uani 1 2 d S TU P . .
P6 P 0.8073(3) 0.750000 0.1853(7) 0.034(3) Uani 0.5 2 d S TU P A 1
O29 O 0.5251(3) 0.3804(7) 0.1161(6) 0.037(3) Uani 1 1 d . U . . .
O58 O 0.6808(3) 0.6243(8) 0.0004(7) 0.049(3) Uani 1 1 d . U . . .
O1BA O 0.4763(4) 0.250000 0.1176(8) 0.035(4) Uani 1 2 d S TU P . .
O9 O 0.500000 0.4121(11) 0.3753(9) 0.040(3) Uani 1 2 d S TU P . .
O46 O 0.6462(3) 0.6791(8) 0.3675(7) 0.047(3) Uani 1 1 d . U . . .
O48 O 0.6316(3) 0.6802(8) 0.2234(7) 0.054(3) Uani 1 1 d . U . . .
O73 O 0.7391(6) 0.6916(14) 0.1512(11) 0.035(3) Uani 0.5 1 d . U . A 1
O76 O 0.6986(5) 0.6887(13) 0.2391(12) 0.035(3) Uani 0.5 1 d . U . A 1
O82 O 0.7135(5) 0.6910(13) 0.1816(11) 0.033(3) Uani 0.5 1 d . U . A 2
O44 O 0.6807(6) 0.5159(14) 0.2355(14) 0.048(5) Uani 0.5 1 d . U . . .
O84 O 0.7008(7) 0.5172(15) 0.1569(14) 0.049(5) Uani 0.5 1 d . U . . .
O69 O 0.7940(5) 0.6918(13) 0.2008(12) 0.033(4) Uani 0.5 1 d . U . A 1
O83 O 0.7715(6) 0.6899(13) 0.1567(11) 0.037(3) Uani 0.5 1 d . U . A 2
O72 O 0.7798(7) 0.5151(15) 0.1272(13) 0.046(5) Uani 0.5 1 d . U . . .
O75 O 0.7370(7) 0.5151(15) 0.1159(12) 0.046(5) Uani 0.5 1 d . U . . .
O70 O 0.8087(6) 0.5169(14) 0.1843(12) 0.040(6) Uani 0.5 1 d . U . . .
O40 O 0.5690(8) 0.6178(16) 0.2220(19) 0.079(7) Uani 0.5 1 d . U . . .
O42 O 0.6094(10) 0.590(2) 0.0251(19) 0.087(12) Uani 0.5 1 d . U . A .
O41 O 0.5696(9) 0.4963(19) 0.087(2) 0.083(12) Uani 0.5 1 d . U . A .
O1 O 0.5421(5) 0.250000 0.5449(9) 0.045(4) Uani 1 2 d S TU P . .
Co4A Co 0.6687(4) 0.4455(10) 0.3005(10) 0.054(4) Uani 0.165(7) 1 d . U . A 1
Co3 Co 0.6296(4) 0.4422(10) 0.5031(9) 0.0865(18) Uani 0.25 1 d . U . . .
O79 O 0.9319(8) 0.709(3) 0.1420(16) 0.098(12) Uani 0.5 1 d . U . . .
O87 O 0.7433(6) 0.5886(14) 0.1632(14) 0.038(4) Uani 0.5 1 d . U . A 2
O71 O 0.7677(6) 0.5895(14) 0.1710(14) 0.038(4) Uani 0.5 1 d . U . A 1
O85 O 0.7072(6) 0.5917(13) 0.2404(13) 0.038(4) Uani 0.5 1 d . U . A 2
O74 O 0.7169(6) 0.5903(14) 0.1914(14) 0.038(4) Uani 0.5 1 d . U . A 1
O86 O 0.7885(7) 0.5904(15) 0.2096(13) 0.039(5) Uani 0.5 1 d . U . A 2
Co2B Co 0.7525(4) 0.4418(12) 0.0783(10) 0.097(7) Uani 0.25 1 d . U . A .
Co2A Co 0.7726(4) 0.4452(10) 0.0813(9) 0.085(6) Uani 0.25 1 d . U . A .
O43 O 0.6912(14) 0.391(3) 0.342(3) 0.054(4) Uani 0.25 1 d . U . . .
O77 O 0.7606(10) 0.4023(18) 0.1308(19) 0.082(11) Uani 0.5 1 d . U . . .
Na1 Na 0.500000 0.3160(12) 0.2869(9) 0.034(3) Uani 0.5 2 d S TU P . .
Co4B Co 0.6637(8) 0.443(2) 0.262(2) 0.054(4) Uani 0.085(7) 1 d . U . A 2
O2BA O 0.6911(14) 0.417(3) 0.298(3) 0.054(4) Uani 0.25 1 d . U . A .
O0CA O 0.6482(18) 0.479(5) 0.032(3) 0.078(9) Uani 0.25 1 d . U . A 2
O81 O 0.6328(18) 0.479(5) 0.068(3) 0.078(9) Uani 0.25 1 d . U . A 1
O6DA O 0.6599(13) 0.407(3) 0.207(3) 0.050(10) Uani 0.25 1 d . U . . .
O28 O 0.5480(3) 0.3087(6) 0.2547(5) 0.031(2) Uani 1 1 d . U . . .
P2 P 0.56401(14) 0.250000 0.2457(3) 0.0293(15) Uani 1 2 d S TU P . .
P1 P 0.53947(16) 0.250000 0.3947(3) 0.0335(16) Uani 1 2 d S TU P . .
O27 O 0.5736(4) 0.250000 0.1899(8) 0.032(3) Uani 1 2 d S TU P . .
O8 O 0.5295(3) 0.3089(7) 0.3687(5) 0.032(2) Uani 1 1 d . U . . .
O18 O 0.5881(4) 0.250000 0.2792(8) 0.032(3) Uani 1 2 d S TU P . .
O7 O 0.5303(4) 0.250000 0.4517(8) 0.039(3) Uani 1 2 d S TU P . .
O10 O 0.5697(4) 0.250000 0.3953(8) 0.036(3) Uani 1 2 d S TU P . .
O13 O 0.5412(3) 0.4099(7) 0.3129(6) 0.037(2) Uani 1 1 d . U . . .
K2 K 0.61319(16) 0.500000 0.000000 0.0488(18) Uani 1 2 d S TU P . .
K4 K 0.500000 0.4312(7) 0.5982(7) 0.116(5) Uani 1 2 d S TU P . .
K3 K 0.5501(8) 0.500000 0.500000 0.130(9) Uani 0.5 2 d S TU P . .
O4 O 0.500000 0.500000 0.500000 0.061(6) Uani 1 4 d S TU P . .
K1 K 0.8979(5) 0.750000 0.0623(11) 0.104(9) Uani 0.5 2 d S TU P . .
Li1 Li 0.6572(6) 0.4992(19) 0.0774(12) 0.123(9) Uani 0.75 1 d . U . A 1
K2B K 0.6572(6) 0.4992(19) 0.0774(12) 0.123(9) Uani 0.25 1 d . U . A 2
O37 O 0.5996(5) 0.4944(11) 0.3397(12) 0.110(7) Uani 1 1 d . U . . .
Co5 Co 0.6277(4) 0.4913(11) 0.2065(10) 0.0865(18) Uani 0.235(8) 1 d . U . A 2
O39 O 0.6124(5) 0.5362(13) 0.2198(13) 0.120(7) Uani 1 1 d . U . . .
O78 O 0.750000 0.461(3) 0.250000 0.071(16) Uani 0.5 2 d S TU P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
P P 0.1023 0.0942 '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
O6 W2 Na1 115.0(5) . .
O6 W2 O8 83.1(6) . .
O6 W2 K4 93.7(5) . 9_666
O6 W2 K3 54.0(5) . .
O11 W2 O6 85.5(6) . .
O11 W2 Na1 114.9(5) . .
O11 W2 O8 83.5(6) . .
O11 W2 K4 133.3(5) . 9_666
O11 W2 K3 81.5(7) . .
O12 W2 O6 97.4(7) . .
O12 W2 O11 96.3(7) . .
O12 W2 O9 96.9(9) . .
O12 W2 Na1 135.6(6) . .
O12 W2 O8 179.4(7) . .
O12 W2 O13 96.7(7) . .
O12 W2 K4 37.4(5) . 9_666
O12 W2 K3 45.1(5) . .
O9 W2 O6 88.9(8) . .
O9 W2 O11 166.2(8) . .
O9 W2 Na1 56.6(7) . .
O9 W2 O8 83.4(8) . .
O9 W2 O13 91.0(8) . .
O9 W2 K4 59.6(7) . 9_666
O9 W2 K3 105.3(9) . .
Na1 W2 K4 107.6(3) . 9_666
O8 W2 Na1 44.2(5) . .
O8 W2 K4 143.0(4) . 9_666
O8 W2 K3 135.3(4) . .
O13 W2 O6 165.9(6) . .
O13 W2 O11 91.5(6) . .
O13 W2 Na1 54.1(5) . .
O13 W2 O8 82.8(6) . .
O13 W2 K4 98.4(5) . 9_666
O13 W2 K3 139.2(5) . .
K3 W2 Na1 160.9(6) . .
K3 W2 K4 61.6(5) . 9_666
O23 W4 O21 167.4(6) . .
O23 W4 O24 92.5(6) . .
O23 W4 Na1 55.8(5) . .
O23 W4 O28 84.0(6) . .
O23 W4 O13 89.8(6) . .
O21 W4 Na1 113.8(5) . .
O21 W4 O28 83.4(6) . .
O24 W4 O21 86.1(6) . .
O24 W4 Na1 116.1(6) . .
O24 W4 O28 83.3(6) . .
O22 W4 O23 98.1(7) . .
O22 W4 O21 94.5(7) . .
O22 W4 O24 97.2(8) . .
O22 W4 Na1 136.6(6) . .
O22 W4 O28 177.8(7) . .
O22 W4 O13 96.8(8) . .
O28 W4 Na1 44.4(5) . .
O13 W4 O21 88.5(6) . .
O13 W4 O24 165.3(6) . .
O13 W4 Na1 54.3(6) . .
O13 W4 O28 82.5(6) . .
O23 W8 O23 88.0(8) 12_655 .
O23 W8 O35 81.6(6) 12_655 .
O23 W8 O35 81.6(6) . .
O34 W8 O23 98.4(7) . 12_655
O34 W8 O23 98.4(7) . .
O34 W8 O35 179.9(9) . .
O34 W8 O29 97.6(7) . .
O34 W8 O29 97.6(7) . 12_655
O29 W8 O23 90.5(6) . .
O29 W8 O23 164.0(6) 12_655 .
O29 W8 O23 164.0(6) . 12_655
O29 W8 O23 90.5(6) 12_655 12_655
O29 W8 O35 82.4(6) . .
O29 W8 O35 82.4(6) 12_655 .
O29 W8 O29 86.7(9) 12_655 .
O6 W1 O2 87.7(8) . .
O6 W1 O5 86.2(6) . .
O6 W1 O1 159.8(7) . .
O6 W1 O7 86.2(6) . .
O6 W1 K4 90.5(5) . .
O6 W1 K3 51.3(5) . .
O6 W1 K1 132.2(6) . 6_655
O2 W1 O5 166.3(8) . .
O2 W1 O1 92.0(10) . .
O2 W1 O7 84.7(9) . .
O2 W1 K4 56.5(7) . .
O2 W1 K3 104.0(9) . .
O2 W1 K1 140.0(8) . 6_655
O5 W1 O7 82.7(7) . .
O5 W1 K4 135.7(5) . .
O5 W1 K3 81.5(7) . .
O5 W1 K1 46.5(6) . 6_655
O3 W1 O6 101.3(8) . .
O3 W1 O2 97.3(9) . .
O3 W1 O5 95.9(7) . .
O3 W1 O1 98.8(8) . .
O3 W1 O7 172.3(7) . .
O3 W1 K4 41.7(6) . .
O3 W1 K3 51.4(6) . .
O3 W1 K1 80.7(7) . 6_655
O1 W1 O5 89.6(9) . .
O1 W1 O7 73.7(7) . .
O1 W1 K4 106.1(7) . .
O1 W1 K3 147.2(7) . .
O1 W1 K1 49.6(8) . 6_655
O7 W1 K4 141.2(6) . .
O7 W1 K3 135.3(4) . .
O7 W1 K1 93.0(6) . 6_655
K4 W1 K3 62.8(5) . .
K4 W1 K1 116.9(4) . 6_655
K3 W1 K1 105.4(6) . 6_655
O11 W3 O16 88.8(7) . .
O11 W3 O5 85.5(7) . .
O11 W3 O14 158.4(7) . .
O11 W3 O10 85.3(6) . .
O11 W3 K1 133.0(6) . 6_655
O16 W3 O5 166.1(6) . .
O16 W3 O10 84.6(7) . .
O16 W3 K1 137.9(6) . 6_655
O5 W3 O10 82.2(7) . .
O5 W3 K1 47.9(6) . 6_655
O15 W3 O11 102.7(7) . .
O15 W3 O16 97.8(7) . .
O15 W3 O5 95.9(7) . .
O15 W3 O14 98.6(8) . .
O15 W3 O10 171.7(7) . .
O15 W3 K1 79.7(6) . 6_655
O14 W3 O16 92.1(8) . .
O14 W3 O5 88.5(8) . .
O14 W3 O10 73.3(6) . .
O14 W3 K1 47.8(7) . 6_655
O10 W3 K1 93.2(5) . 6_655
O20 W6 O27 81.3(7) . .
O24 W6 O20 85.0(7) . .
O24 W6 O30 88.4(7) . .
O24 W6 O26 158.9(7) . .
O24 W6 O27 85.5(6) . .
O30 W6 O20 166.0(6) . .
O30 W6 O26 91.0(8) . .
O30 W6 O27 85.8(7) . .
O26 W6 O20 90.7(8) . .
O26 W6 O27 73.4(6) . .
O25 W6 O20 96.2(7) . .
O25 W6 O24 101.4(7) . .
O25 W6 O30 97.2(7) . .
O25 W6 O26 99.6(8) . .
O25 W6 O27 172.4(7) . .
O17 W5 O20 88.9(8) . .
O17 W5 O18 73.5(6) . .
O16 W5 O17 91.3(8) . .
O16 W5 O20 166.6(6) . .
O16 W5 O18 85.5(7) . .
O19 W5 O17 99.4(7) . .
O19 W5 O16 96.4(7) . .
O19 W5 O21 101.2(7) . .
O19 W5 O20 96.8(7) . .
O19 W5 O18 172.7(7) . .
O21 W5 O17 159.4(7) . .
O21 W5 O16 88.0(6) . .
O21 W5 O20 87.1(7) . .
O21 W5 O18 85.9(6) . .
O20 W5 O18 81.7(7) . .
O33 W7 O1BA 81.5(8) . 2_655
O30 W7 O33 166.0(7) . .
O30 W7 O1BA 85.6(7) . 2_655
O31 W7 O33 97.2(8) . .
O31 W7 O30 96.2(7) . .
O31 W7 O32 100.5(8) . .
O31 W7 O29 101.7(7) . .
O31 W7 O1BA 173.0(7) . 2_655
O32 W7 O33 89.8(10) . .
O32 W7 O30 91.5(9) . .
O32 W7 O1BA 72.7(7) . 2_655
O29 W7 O33 85.7(8) . .
O29 W7 O30 87.9(6) . .
O29 W7 O32 157.8(8) . .
O29 W7 O1BA 85.1(6) . 2_655
O47 W9 O49 72.7(7) . .
O47 W9 O46 90.6(9) . .
O38 W9 O49 170.8(7) . .
O38 W9 O47 98.3(9) . .
O38 W9 O45 102.6(8) . .
O38 W9 O46 97.8(9) . .
O38 W9 O48 96.1(9) . .
O45 W9 O49 86.5(6) . .
O45 W9 O47 159.2(8) . .
O45 W9 O46 86.8(7) . .
O45 W9 O48 88.9(8) . .
O46 W9 O49 84.1(8) . .
O48 W9 O49 82.4(9) . .
O48 W9 O47 88.7(10) . .
O48 W9 O46 166.0(7) . .
O53 W10 O54 89.7(9) . .
O53 W10 O50 72.9(7) . .
O53 W10 O48 89.8(10) . .
O51 W10 O53 159.6(8) . .
O51 W10 O54 88.5(7) . .
O51 W10 O50 86.7(6) . .
O51 W10 O48 86.9(8) . .
O54 W10 O50 84.3(8) . .
O54 W10 O48 165.8(7) . .
O52 W10 O53 98.8(8) . .
O52 W10 O51 101.6(8) . .
O52 W10 O54 96.4(8) . .
O52 W10 O50 171.7(7) . .
O52 W10 O48 97.7(8) . .
O48 W10 O50 82.0(8) . .
O64 W13 O67 83.6(8) . .
O64 W13 K1 128.3(6) . .
O66 W13 O64 89.9(9) . .
O66 W13 O67 73.1(7) . .
O66 W13 K1 44.1(7) . .
O68 W13 O64 89.8(7) . .
O68 W13 O66 159.6(7) . .
O68 W13 O67 86.6(6) . .
O68 W13 O46 86.8(7) . 7_645
O68 W13 K1 141.8(7) . .
O65 W13 O64 97.1(8) . .
O65 W13 O66 98.5(8) . .
O65 W13 O68 101.8(7) . .
O65 W13 O67 171.6(7) . .
O65 W13 O46 96.3(8) . 7_645
O65 W13 K1 73.9(6) . .
O67 W13 K1 99.0(5) . .
O46 W13 O64 166.6(7) 7_645 .
O46 W13 O66 88.8(9) 7_645 .
O46 W13 O67 83.3(8) 7_645 .
O46 W13 K1 56.9(6) 7_645 .
O55 W11 O56 86.8(6) . .
O55 W11 O54 87.3(7) . .
O55 W11 O57 160.6(8) . .
O55 W11 O59 87.4(7) . .
O54 W11 O56 84.0(8) . .
O57 W11 O56 73.8(7) . .
O57 W11 O54 90.1(9) . .
O59 W11 O56 83.4(8) . .
O59 W11 O54 166.5(7) . .
O59 W11 O57 90.9(9) . .
O58 W11 O56 171.0(7) . .
O58 W11 O55 101.9(7) . .
O58 W11 O54 98.2(8) . .
O58 W11 O57 97.5(8) . .
O58 W11 O59 95.0(8) . .
O64 W12 O62 83.0(8) . .
O64 W12 O59 166.6(7) . .
O61 W12 O64 89.0(9) . .
O61 W12 O62 73.8(7) . .
O61 W12 O59 91.6(9) . .
O63 W12 O64 87.9(7) . .
O63 W12 O61 160.4(8) . .
O63 W12 O62 86.6(7) . .
O63 W12 O59 87.0(7) . .
O60 W12 O64 96.2(8) . .
O60 W12 O61 98.3(8) . .
O60 W12 O62 172.0(7) . .
O60 W12 O63 101.3(8) . .
O60 W12 O59 96.9(8) . .
O59 W12 O62 84.4(8) . .
Na2 W15B K2B 178.6(7) . .
O55 W15B Na2 114.6(5) . .
O55 W15B O51 92.5(7) . .
O55 W15B O82 84.7(9) . .
O55 W15B K2B 64.8(7) . .
O51 W15B Na2 112.4(5) . .
O51 W15B O82 84.0(9) . .
O51 W15B K2B 66.6(7) . .
O82 W15B Na2 43.4(8) . .
O82 W15B K2B 135.3(9) . .
O84 W15B Na2 134.2(12) . .
O84 W15B O55 96.6(13) . .
O84 W15B O51 98.0(13) . .
O84 W15B O82 177.5(14) . .
O84 W15B O87 95.5(15) . .
O84 W15B O85 98.6(15) . .
O84 W15B K2B 47.1(13) . .
O87 W15B Na2 55.7(10) . .
O87 W15B O55 87.8(12) . .
O87 W15B O51 166.4(10) . .
O87 W15B O82 82.4(12) . .
O87 W15B K2B 125.2(11) . .
O85 W15B Na2 53.0(10) . .
O85 W15B O55 164.8(10) . .
O85 W15B O51 85.7(11) . .
O85 W15B O82 80.2(12) . .
O85 W15B O87 90.4(15) . .
O85 W15B K2B 127.3(11) . .
W14 W16 O45 61.2(5) 7_645 .
W14 W16 O76 84.1(9) 7_645 .
O45 W16 O76 82.1(9) . .
O51 W16 W14 154.3(5) . 7_645
O51 W16 O45 94.6(7) . .
O51 W16 O76 83.9(9) . .
O44 W16 W14 93.6(13) . 7_645
O44 W16 O45 95.9(12) . .
O44 W16 O51 97.8(13) . .
O44 W16 O76 177.5(15) . .
O44 W16 O74 99.3(15) . .
O74 W16 W14 114.7(11) . 7_645
O74 W16 O45 164.6(11) . .
O74 W16 O51 86.2(12) . .
O74 W16 O76 82.6(12) . .
W16 W14 O68 148.0(5) 7_645 .
W16 W14 O45 59.6(5) 7_645 7_645
W16 W14 Na2 76.85(10) 7_645 .
W16 W14 O69 86.6(8) 7_645 .
O68 W14 O45 88.9(7) . 7_645
O68 W14 Na2 115.1(5) . .
O68 W14 O69 83.6(9) . .
O45 W14 Na2 114.0(5) 7_645 .
O45 W14 O69 83.1(9) 7_645 .
O69 W14 Na2 44.9(8) . .
O70 W14 W16 93.3(11) . 7_645
O70 W14 O68 96.4(11) . .
O70 W14 O45 96.7(12) . 7_645
O70 W14 Na2 135.2(11) . .
O70 W14 O69 179.8(16) . .
O70 W14 O71 96.6(15) . .
O71 W14 W16 120.3(11) . 7_645
O71 W14 O68 88.8(12) . .
O71 W14 O45 166.7(11) . 7_645
O71 W14 Na2 55.7(11) . .
O71 W14 O69 83.6(12) . .
O68 W14B O63 94.0(7) . .
O68 W14B O83 83.5(9) . .
O63 W14B O83 82.6(10) . .
O72 W14B O68 96.7(12) . .
O72 W14B O63 97.5(12) . .
O72 W14B O83 179.7(16) . .
O72 W14B O87 96.7(15) . .
O72 W14B O86 96.9(15) . .
O87 W14B O68 166.5(11) . .
O87 W14B O63 85.9(13) . .
O87 W14B O83 83.1(12) . .
O87 W14B O86 90.0(16) . .
O86 W14B O68 86.8(12) . .
O86 W14B O63 165.3(11) . .
O86 W14B O83 82.9(13) . .
O63 W15 O73 84.4(9) . .
O55 W15 O63 93.7(7) . .
O55 W15 O73 84.0(9) . .
O75 W15 O63 95.0(12) . .
O75 W15 O55 98.1(12) . .
O75 W15 O73 177.9(14) . .
O75 W15 O71 95.1(15) . .
O75 W15 O74 98.7(14) . .
O71 W15 O63 85.7(12) . .
O71 W15 O55 166.8(11) . .
O71 W15 O73 82.8(12) . .
O71 W15 O74 90.3(15) . .
O74 W15 O63 166.0(11) . .
O74 W15 O55 87.1(12) . .
O74 W15 O73 81.8(12) . .
O38 Co1 O36 83.5(8) . .
O38 Co1 O40 92.0(10) . .
O38 Co1 O37 89.3(8) . .
O22 Co1 O38 174.6(8) . .
O22 Co1 O36 101.6(8) . .
O22 Co1 O40 89.1(10) . .
O22 Co1 O37 90.3(8) . .
O22 Co1 O39 84.0(9) . .
O36 Co1 O40 96.2(16) . .
O36 Co1 O37 75.9(12) . .
O40 Co1 O37 171.8(17) . .
O39 Co1 O38 90.8(10) . .
O39 Co1 O36 174.0(12) . .
O39 Co1 O40 85.8(17) . .
O39 Co1 O37 102.3(14) . .
O35 P3 O35 111.8(17) 2_655 .
O35 P3 O1BA 109.9(5) . 2_655
O35 P3 O1BA 109.9(5) 2_655 2_655
O35 P3 O1BA 109.9(5) . .
O35 P3 O1BA 109.9(5) 2_655 .
O1BA P3 O1BA 105.3(17) 2_655 .
W2 O6 K3 94.9(6) . .
W1 O6 W2 150.1(9) . .
W1 O6 K3 99.6(6) . .
O62 P5B O67 118.0(15) . .
O83 P5B O62 105.2(15) . .
O83 P5B O62 105.2(15) 11_575 .
O83 P5B O67 106.6(14) . .
O83 P5B O67 106.6(14) 11_575 .
O83 P5B O83 116(2) 11_575 .
W5 O17 W5 118.1(10) 11_565 .
W1 O2 W1 163.3(13) 12_655 .
W1 O2 K4 92.9(7) . .
W1 O2 K4 92.9(7) 12_655 .
W3 O11 W2 151.9(9) . .
W5 O16 W3 161.1(8) . .
W13 O64 W12 154.0(10) . .
W12 O61 W12 118.9(12) 11_575 .
O56 P4B O50 116.7(15) . .
O82 P4B O56 107.5(14) 11_575 .
O82 P4B O56 107.5(14) . .
O82 P4B O50 107.2(14) 11_575 .
O82 P4B O50 107.3(14) . .
O82 P4B O82 111(2) 11_575 .
W1 O5 W3 148.3(8) . .
W1 O5 K1 105.9(8) . 6_655
W3 O5 K1 103.7(8) . 6_655
W3 O15 Co3 157.2(12) . .
W3 O14 W3 118.4(11) 11_565 .
W3 O14 K1 104.5(8) 11_565 6_655
W3 O14 K1 104.5(8) . 6_655
W4 O23 W8 159.8(8) . .
W5 O19 Co4A 172.3(12) . .
W5 O19 Co4B 151.9(18) . .
W5 O21 W4 148.4(9) . .
W2 O12 K4 120.9(8) . 9_666
W2 O12 K3 108.8(7) . .
K3 O12 K4 89.7(9) . 9_666
W1 O3 K4 113.9(8) . .
W1 O3 K3 102.7(7) . .
K4 O3 K3 85.7(9) . .
W9 O49 W9 94.8(8) 11_575 .
P4 O49 W9 121.6(9) . .
P4 O49 W9 121.6(9) . 11_575
P4 O49 P6 79.4(12) . 13_665
P6 O49 W9 121.1(9) 13_665 .
P6 O49 W9 121.1(9) 13_665 11_575
W5 O20 W6 149.1(8) . .
W9 O47 W9 119.7(12) . 11_575
W7 O33 W7 148.7(12) . 12_655
W6 O24 W4 151.9(9) . .
W13 O66 W13 119.0(11) 11_575 .
W13 O66 K1 108.4(8) . .
W13 O66 K1 108.4(8) 11_575 .
W13 O68 W14 147.2(10) . .
W13 O68 W14B 142.7(9) . .
W9 O38 Co1 149.4(13) . .
W6 O30 W7 162.8(9) . .
W6 O26 W6 119.2(11) 11_565 .
W4 O22 Co1 147.5(11) . .
W9 O45 W16 143.0(10) . .
W9 O45 W14 146.1(10) . 7_645
W16 O45 W14 59.2(5) . 7_645
W12 O62 W12 93.5(9) 11_575 .
P5B O62 W12 121.4(9) . .
P5 O62 W12 120.0(9) . 11_575
P5 O62 W12 120.0(9) . .
W13 O65 Co3 174.0(13) . 6_654
W11 O56 W11 94.3(8) . 11_575
P4B O56 W11 121.1(9) . .
P5 O56 W11 122.4(8) . 11_575
P5 O56 W11 122.4(8) . .
W12 O63 W14B 143.6(10) . .
W12 O63 W15 142.8(10) . .
W10 O53 W10 119.3(12) 11_575 .
Na2 Na2 O85 131.5(7) 13_665 7_645
O73 Na2 Na2 86.4(9) . 13_665
O73 Na2 Na2 86.4(9) 7_645 13_665
O73 Na2 O73 172.8(18) 7_645 .
O73 Na2 O76 108.3(10) . 7_645
O73 Na2 O76 71.4(9) 7_645 7_645
O73 Na2 O76 108.3(10) 7_645 .
O73 Na2 O76 71.4(9) . .
O73 Na2 O83 37.0(9) 7_645 7_645
O73 Na2 O83 142.5(10) . 7_645
O73 Na2 O85 106.4(10) . 7_645
O73 Na2 O85 78.5(10) 7_645 7_645
O76 Na2 Na2 87.8(9) . 13_665
O76 Na2 Na2 87.8(9) 7_645 13_665
O76 Na2 O76 175.6(17) 7_645 .
O76 Na2 O85 140.7(13) . 7_645
O76 Na2 O85 43.7(9) 7_645 7_645
O82 Na2 O83 71.2(10) . .
O82 Na2 O83 108.4(10) 7_645 .
O69 Na2 Na2 86.3(9) . 13_665
O69 Na2 Na2 86.3(9) 7_645 13_665
O69 Na2 O73 106.7(9) 7_645 .
O69 Na2 O73 72.8(9) . .
O69 Na2 O73 72.8(9) 7_645 7_645
O69 Na2 O73 106.7(9) . 7_645
O69 Na2 O76 144.1(9) 7_645 7_645
O69 Na2 O76 144.1(9) . .
O69 Na2 O76 35.4(9) 7_645 .
O69 Na2 O76 35.4(9) . 7_645
O69 Na2 O69 172.5(17) . 7_645
O69 Na2 O83 35.9(9) 7_645 7_645
O69 Na2 O83 143.5(10) . 7_645
O69 Na2 O85 130.5(12) 7_645 7_645
O69 Na2 O85 55.8(9) . 7_645
W12 O60 Co2B 150.6(12) . 4_565
W12 O60 Co2A 170.0(13) . 4_565
Co2A O60 Co2B 30.1(8) 4_565 4_565
W11 O55 W15B 145.3(9) . .
W11 O55 W15 143.6(10) . .
W10 O51 W15B 143.2(10) . .
W10 O51 W16 144.6(10) . .
O49 P4 O50 116.6(15) . .
O49 P4 P6 52.3(11) . 13_665
O50 P4 P6 168.9(13) . 13_665
O76 P4 O49 105.7(14) 11_575 .
O76 P4 O49 105.7(14) . .
O76 P4 O50 106.5(14) . .
O76 P4 O50 106.5(14) 11_575 .
O76 P4 P6 78.9(14) 11_575 13_665
O76 P4 P6 78.9(14) . 13_665
O76 P4 O76 116(2) . 11_575
O56 P5 O62 117.0(15) . .
O73 P5 O62 105.6(14) 11_575 .
O73 P5 O62 105.6(14) . .
O73 P5 O56 107.9(14) . .
O73 P5 O56 107.9(14) 11_575 .
O73 P5 O73 113(2) . 11_575
W8 O35 Na1 101.7(10) . .
P3 O35 W8 130.7(12) . .
P3 O35 Na1 127.6(13) . .
W10 O54 W11 154.2(9) . .
W11 O57 W11 118.2(12) . 11_575
W7 O32 W7 120.4(13) 11_565 .
W11 O59 W12 156.0(10) . .
W13 O67 W13 94.8(8) . 11_575
P5B O67 W13 120.6(9) . .
P6 O67 W13 122.4(8) . .
P6 O67 W13 122.4(8) . 11_575
W10 O50 W10 95.0(8) . 11_575
P4B O50 W10 120.6(9) . .
P4 O50 W10 121.2(9) . .
P4 O50 W10 121.2(9) . 11_575
O49 P6 P4 48.2(10) 13_665 13_665
O67 P6 O49 113.4(14) . 13_665
O67 P6 P4 161.7(13) . 13_665
O69 P6 O49 106.3(14) . 13_665
O69 P6 O49 106.3(14) 11_575 13_665
O69 P6 P4 81.0(14) . 13_665
O69 P6 P4 81.0(14) 11_575 13_665
O69 P6 O67 108.1(15) . .
O69 P6 O67 108.1(15) 11_575 .
O69 P6 O69 115(2) 11_575 .
W7 O29 W8 151.8(9) . .
W7 O1BA W7 94.0(8) 2_655 12_655
P3 O1BA W7 127.2(7) . 2_655
P3 O1BA W7 127.2(7) . 12_655
W2 O9 W2 163.9(14) . 12_655
W9 O46 K1 110.6(8) . 13_665
W13 O46 W9 154.2(9) 7_645 .
W13 O46 K1 94.6(8) 7_645 13_665
W9 O48 W10 155.1(11) . .
W15 O73 Na2 100.6(12) . .
P5 O73 W15 132.2(17) . .
P5 O73 Na2 127.2(18) . .
W16 O76 Na2 101.8(12) . .
P4 O76 W16 134.2(17) . .
P4 O76 Na2 124.0(17) . .
P4 O76 O69 99(2) . 7_645
O69 O76 W16 98.0(17) 7_645 .
O69 O76 Na2 70.2(13) 7_645 .
W15B O82 Na2 101.6(12) . .
P4B O82 W15B 130.5(16) . .
P4B O82 Na2 128.0(17) . .
W16 O44 Co4A 133(2) . .
W15B O84 K2B 109.7(17) . .
W14 O69 Na2 99.3(12) . .
P6 O69 W14 134.4(17) . .
P6 O69 Na2 126.3(17) . .
P6 O69 O76 101(2) . 7_645
O76 O69 W14 91.3(16) 7_645 .
O76 O69 Na2 74.3(14) 7_645 .
W14B O83 Na2 100.5(12) . .
P5B O83 W14B 134.6(17) . .
P5B O83 Na2 124.9(17) . .
W14B O72 Co2A 148(2) . .
W15 O75 Co2B 150(2) . .
W14 O70 Co4A 149(2) . 7_645
W1 O1 W1 117.7(11) . 11_565
W1 O1 K1 102.6(8) . 6_655
W1 O1 K1 102.6(8) 11_565 6_655
O19 Co4A O44 123.1(15) . .
O70 Co4A O19 172.9(17) 7_645 .
O70 Co4A O44 59.2(13) 7_645 .
O70 Co4A O43 90(2) 7_645 .
O43 Co4A O19 93(2) . .
O43 Co4A O44 128(2) . .
O2BA Co4A O19 105(3) . .
O2BA Co4A O44 92(4) . .
O2BA Co4A O70 81(3) . 7_645
O2BA Co4A O43 39(4) . .
O15 Co3 O65 92.7(11) . 6_655
O15 Co3 Co3 129.6(16) . 4_566
O65 Co3 Co3 134.1(11) 6_655 4_566
O79 O79 K1 72.0(12) 11_575 .
W14B O87 W15B 162(2) . .
W14 O71 W15 162(2) . .
W15B O85 Na2 96.1(12) . .
O86 O85 W15B 173(3) 7_645 .
O86 O85 Na2 79(2) 7_645 .
W16 O74 W15 162(2) . .
O85 O86 W14B 170(3) 7_645 .
O75 Co2B O60 171.6(19) . 4_565
Co2A Co2B O60 73.9(18) . 4_565
Co2A Co2B O75 108(2) . .
Co2A Co2B O77 74(3) . .
O77 Co2B O60 92.8(19) . 4_565
O77 Co2B O75 96(2) . .
O72 Co2A O60 176.3(18) . 4_565
Co2B Co2A O60 76.0(18) . 4_565
Co2B Co2A O72 107(2) . .
Co2B Co2A O77 70(3) . .
O77 Co2A O60 92.2(17) . 4_565
O77 Co2A O72 91.2(19) . .
O2BA O43 Co4A 41(4) . .
Co2B O77 Co2A 36.2(14) . .
W2 Na1 W2 60.5(4) . 12_655
W4 Na1 W2 108.5(6) . 12_655
W4 Na1 W2 60.3(3) . .
W4 Na1 W2 60.3(3) 12_655 12_655
W4 Na1 W2 108.5(6) 12_655 .
W4 Na1 W4 107.6(6) 12_655 .
O35 Na1 W2 135.8(7) . .
O35 Na1 W2 135.8(7) . 12_655
O35 Na1 W4 76.2(5) . .
O35 Na1 W4 76.2(5) . 12_655
O35 Na1 Na1 86.5(7) . 2_655
Na1 Na1 W2 121.7(4) 2_655 .
Na1 Na1 W2 121.7(4) 2_655 12_655
Na1 Na1 W4 121.7(4) 2_655 .
Na1 Na1 W4 121.7(4) 2_655 12_655
O28 Na1 W2 76.9(4) 12_655 12_655
O28 Na1 W2 136.6(8) . 12_655
O28 Na1 W2 76.9(4) . .
O28 Na1 W2 136.6(8) 12_655 .
O28 Na1 W4 35.1(4) 12_655 12_655
O28 Na1 W4 35.1(4) . .
O28 Na1 W4 135.1(9) 12_655 .
O28 Na1 W4 135.1(9) . 12_655
O28 Na1 O35 71.2(6) . .
O28 Na1 O35 71.2(6) 12_655 .
O28 Na1 Na1 86.6(6) . 2_655
O28 Na1 Na1 86.6(6) 12_655 2_655
O28 Na1 O28 142.1(11) 12_655 .
O8 Na1 W2 35.0(4) . .
O8 Na1 W2 76.4(6) . 12_655
O8 Na1 W2 35.0(4) 12_655 12_655
O8 Na1 W2 76.4(6) 12_655 .
O8 Na1 W4 77.4(4) 12_655 12_655
O8 Na1 W4 136.0(9) 12_655 .
O8 Na1 W4 77.4(4) . .
O8 Na1 W4 136.0(9) . 12_655
O8 Na1 O35 143.8(5) . .
O8 Na1 O35 143.8(5) 12_655 .
O8 Na1 Na1 86.7(7) . 2_655
O8 Na1 Na1 86.7(7) 12_655 2_655
O8 Na1 O28 72.9(5) 12_655 12_655
O8 Na1 O28 143.6(9) 12_655 .
O8 Na1 O28 72.9(5) . .
O8 Na1 O28 143.6(9) . 12_655
O8 Na1 O8 71.0(8) 12_655 .
O19 Co4B O44 171(3) . .
O19 Co4B Co5 95.2(18) . .
O44 Co4B Co5 79(2) . .
O2BA Co4B O19 92(3) . .
O2BA Co4B O44 94(3) . .
O2BA Co4B Co5 173(3) . .
O6DA Co4B O19 86(3) . .
O6DA Co4B O44 97(3) . .
O6DA Co4B O2BA 115(4) . .
O6DA Co4B Co5 67(3) . .
O43 O2BA Co4A 100(6) . .
O43 O2BA Co4B 128(6) . .
K2B O0CA K2 126(6) . .
Li1 O81 K2 123(6) . .
W4 O28 Na1 100.5(8) . .
P2 O28 W4 131.7(8) . .
P2 O28 Na1 127.7(10) . .
O28 P2 O28 111.3(11) . 11_565
O28 P2 O27 108.7(7) . .
O28 P2 O27 108.7(7) 11_565 .
O18 P2 O28 110.9(7) . .
O18 P2 O28 110.9(7) . 11_565
O18 P2 O27 106.1(11) . .
O8 P1 O8 112.0(11) . 11_565
O8 P1 O7 108.6(7) . .
O8 P1 O7 108.6(7) 11_565 .
O8 P1 O10 110.2(7) . .
O8 P1 O10 110.2(7) 11_565 .
O7 P1 O10 107.1(12) . .
W6 O27 W6 94.0(7) . 11_565
P2 O27 W6 126.9(6) . .
P2 O27 W6 126.9(6) . 11_565
W2 O8 Na1 100.8(8) . .
P1 O8 W2 131.9(8) . .
P1 O8 Na1 127.3(10) . .
W5 O18 W5 94.5(7) . 11_565
P2 O18 W5 126.8(6) . .
P2 O18 W5 126.8(6) . 11_565
W1 O7 W1 94.8(8) . 11_565
P1 O7 W1 125.9(7) . .
P1 O7 W1 125.9(7) . 11_565
W3 O10 W3 94.6(8) . 11_565
P1 O10 W3 126.3(7) . .
P1 O10 W3 126.3(7) . 11_565
W2 O13 W4 160.9(9) . .
O42 K2 O42 169(3) 4_565 .
O42 K2 O41 74.4(13) 4_565 4_565
O42 K2 O41 97.7(18) . 4_565
O42 K2 O41 97.7(18) 4_565 .
O42 K2 O41 74.4(13) . .
O42 K2 O81 97(3) 4_565 .
O42 K2 O81 89(3) . .
O42 K2 O81 97(3) . 4_565
O42 K2 O81 89(3) 4_565 4_565
O42 K2 Li1 106.1(13) . 4_565
O42 K2 Li1 106.1(13) 4_565 .
O42 K2 Li1 82.3(18) . .
O42 K2 Li1 82.3(18) 4_565 4_565
O42 K2 K2B 106.1(13) 4_565 .
O42 K2 K2B 82.3(18) . .
O41 K2 O41 90.2(18) . 4_565
O0CA K2 O42 100(3) . .
O0CA K2 O42 90(3) 4_565 .
O0CA K2 O41 109(3) . .
O0CA K2 O41 157(3) 4_565 .
O0CA K2 O0CA 55(6) 4_565 .
O0CA K2 Li1 21(3) 4_565 4_565
O0CA K2 Li1 67(3) . 4_565
O0CA K2 K2B 67(3) 4_565 .
O0CA K2 K2B 21(3) . .
O81 K2 O41 75(3) . .
O81 K2 O41 75(3) 4_565 4_565
O81 K2 O41 162(3) . 4_565
O81 K2 O41 162(3) 4_565 .
O81 K2 O81 122(6) . 4_565
O81 K2 Li1 22(3) . .
O81 K2 Li1 22(3) 4_565 4_565
O81 K2 Li1 101(3) . 4_565
O81 K2 Li1 101(3) 4_565 .
Li1 K2 O41 176.3(11) . 4_565
Li1 K2 O41 176.3(11) 4_565 .
Li1 K2 O41 93.4(11) . .
Li1 K2 O41 93.4(11) 4_565 4_565
Li1 K2 Li1 83.0(12) 4_565 .
K2B K2 O41 93.4(11) . .
W2 K4 W2 55.86(18) 4_566 9_666
W1 K4 W2 111.0(2) 12_655 9_666
W1 K4 W2 146.2(5) . 9_666
W1 K4 W2 111.0(2) . 4_566
W1 K4 W2 146.2(5) 12_655 4_566
W1 K4 W1 60.6(2) 12_655 .
W1 K4 K3 98.7(5) . 9_666
W1 K4 K3 59.0(2) 12_655 9_666
W1 K4 K3 59.0(2) . .
W1 K4 K3 98.7(5) 12_655 .
O2 K4 W2 137.0(5) . 4_566
O2 K4 W2 137.0(5) . 9_666
O2 K4 W1 30.61(12) . 12_655
O2 K4 W1 30.61(12) . .
O2 K4 K3 81.3(4) . .
O2 K4 K3 81.3(4) . 9_666
O12 K4 W2 77.6(4) 4_566 9_666
O12 K4 W2 77.6(4) 9_666 4_566
O12 K4 W2 21.8(3) 9_666 9_666
O12 K4 W2 21.8(3) 4_566 4_566
O12 K4 W1 143.4(6) 9_666 .
O12 K4 W1 92.0(4) 9_666 12_655
O12 K4 W1 143.4(6) 4_566 12_655
O12 K4 W1 92.0(4) 4_566 .
O12 K4 O2 121.2(5) 9_666 .
O12 K4 O2 121.2(5) 4_566 .
O12 K4 O12 99.2(8) 4_566 9_666
O12 K4 K3 107.1(7) 4_566 9_666
O12 K4 K3 107.1(7) 9_666 .
O12 K4 K3 44.7(5) 9_666 9_666
O12 K4 K3 44.7(4) 4_566 .
O12 K4 O4 73.9(5) 9_666 .
O12 K4 O4 73.9(5) 4_566 .
O3 K4 W2 91.9(4) 12_655 9_666
O3 K4 W2 91.9(4) . 4_566
O3 K4 W2 142.9(6) . 9_666
O3 K4 W2 142.9(6) 12_655 4_566
O3 K4 W1 24.4(4) 12_655 12_655
O3 K4 W1 84.9(5) . 12_655
O3 K4 W1 84.9(5) 12_655 .
O3 K4 W1 24.4(4) . .
O3 K4 O2 54.6(4) 12_655 .
O3 K4 O2 54.6(4) . .
O3 K4 O12 70.9(5) . 4_566
O3 K4 O12 156.1(9) 12_655 4_566
O3 K4 O12 70.9(5) 12_655 9_666
O3 K4 O12 156.1(9) . 9_666
O3 K4 O3 109.2(8) . 12_655
O3 K4 K3 116.0(7) . 9_666
O3 K4 K3 116.0(7) 12_655 .
O3 K4 K3 50.4(5) 12_655 9_666
O3 K4 K3 50.4(5) . .
O3 K4 O4 82.4(6) 12_655 .
O3 K4 O4 82.4(6) . .
K3 K4 W2 93.2(4) 9_666 4_566
K3 K4 W2 55.72(19) 9_666 9_666
K3 K4 W2 93.2(4) . 9_666
K3 K4 W2 55.72(19) . 4_566
K3 K4 K3 82.6(10) 9_666 .
O4 K4 W2 70.2(3) . 4_566
O4 K4 W2 70.2(3) . 9_666
O4 K4 W1 76.0(3) . 12_655
O4 K4 W1 76.0(3) . .
O4 K4 O2 78.4(6) . .
O4 K4 K3 41.3(5) . 9_666
O4 K4 K3 41.3(5) . .
W2 K3 W2 157.1(12) 4_566 .
W2 K3 W1 58.51(14) 4_566 4_566
W2 K3 W1 58.51(14) . .
W2 K3 W1 116.7(4) . 4_566
W2 K3 W1 116.7(4) 4_566 .
W2 K3 K4 101.3(7) . .
W2 K3 K4 62.7(4) 4_566 .
W1 K3 W1 158.7(12) 4_566 .
W1 K3 K4 106.5(7) 4_566 .
W1 K3 K4 58.1(3) . .
O6 K3 W2 31.1(3) . .
O6 K3 W2 31.1(3) 4_566 4_566
O6 K3 W2 136.0(10) . 4_566
O6 K3 W2 136.0(10) 4_566 .
O6 K3 W1 138.2(10) . 4_566
O6 K3 W1 29.1(3) . .
O6 K3 W1 29.1(3) 4_566 4_566
O6 K3 W1 138.2(10) 4_566 .
O6 K3 O6 139.6(16) . 4_566
O6 K3 O3 54.4(5) . .
O6 K3 O3 54.4(5) 4_566 4_566
O6 K3 O3 119.9(8) . 4_566
O6 K3 O3 119.9(8) 4_566 .
O6 K3 K4 73.4(6) . .
O6 K3 K4 80.2(7) 4_566 .
O12 K3 W2 26.1(3) 4_566 4_566
O12 K3 W2 146.4(10) . 4_566
O12 K3 W2 146.4(10) 4_566 .
O12 K3 W2 26.1(3) . .
O12 K3 W1 91.9(4) 4_566 .
O12 K3 W1 84.6(4) . .
O12 K3 W1 84.6(4) 4_566 4_566
O12 K3 W1 91.9(4) . 4_566
O12 K3 O6 56.4(5) 4_566 4_566
O12 K3 O6 116.1(8) . 4_566
O12 K3 O6 116.1(8) 4_566 .
O12 K3 O6 56.4(5) . .
O12 K3 O12 161.1(18) . 4_566
O12 K3 O3 110.4(5) 4_566 4_566
O12 K3 O3 67.1(5) 4_566 .
O12 K3 O3 110.4(5) . .
O12 K3 O3 67.1(5) . 4_566
O12 K3 K4 45.6(5) 4_566 .
O12 K3 K4 118.8(11) . .
O3 K3 W2 84.4(4) . .
O3 K3 W2 84.4(4) 4_566 4_566
O3 K3 W2 92.9(4) . 4_566
O3 K3 W2 92.9(4) 4_566 .
O3 K3 W1 25.9(3) 4_566 4_566
O3 K3 W1 148.7(8) . 4_566
O3 K3 W1 148.7(8) 4_566 .
O3 K3 W1 25.9(3) . .
O3 K3 O3 166.1(17) 4_566 .
O3 K3 K4 43.9(5) . .
O3 K3 K4 124.1(11) 4_566 .
O4 K3 W2 78.6(6) . 4_566
O4 K3 W2 78.6(6) . .
O4 K3 W1 79.3(6) . 4_566
O4 K3 W1 79.3(6) . .
O4 K3 O6 69.8(8) . .
O4 K3 O6 69.8(8) . 4_566
O4 K3 O12 80.5(9) . .
O4 K3 O12 80.5(9) . 4_566
O4 K3 O3 83.0(8) . 4_566
O4 K3 O3 83.0(8) . .
O4 K3 K4 48.7(5) . .
K4 O4 K4 180.0 . 9_666
K3 O4 K4 90.000(2) . 9_666
K3 O4 K4 90.000(1) . .
K3 O4 K4 90.000(1) 9_666 9_666
K3 O4 K4 90.000(1) 9_666 .
K3 O4 K3 180.0 9_666 .
O5 K1 W13 139.2(10) 6_654 11_575
O5 K1 W13 109.1(6) 16_654 11_575
O5 K1 O5 61.7(7) 6_654 16_654
O5 K1 O14 52.6(6) 16_654 6_654
O5 K1 O14 52.6(6) 6_654 6_654
O5 K1 O46 167.2(11) 6_654 13_665
O5 K1 O46 120.1(5) 16_654 13_665
O5 K1 O46 167.2(11) 16_654 7_645
O5 K1 O46 120.1(5) 6_654 7_645
O5 K1 O1 52.3(5) 6_654 6_654
O5 K1 O1 52.3(5) 16_654 6_654
O14 K1 W13 89.1(7) 6_654 11_575
O14 K1 O46 117.0(9) 6_654 13_665
O14 K1 O46 117.0(9) 6_654 7_645
O14 K1 O1 89.6(8) 6_654 6_654
O66 K1 W13 27.5(2) . 11_575
O66 K1 O5 116.9(10) . 6_654
O66 K1 O5 116.9(10) . 16_654
O66 K1 O14 76.7(9) . 6_654
O66 K1 O46 50.4(6) . 7_645
O66 K1 O46 50.4(6) . 13_665
O66 K1 O1 166.3(13) . 6_654
O80 K1 W13 69.0(6) 11_575 11_575
O80 K1 W13 117.9(7) . 11_575
O80 K1 O5 124.7(9) 11_575 6_654
O80 K1 O5 63.9(6) 11_575 16_654
O80 K1 O5 63.9(6) . 6_654
O80 K1 O5 124.7(9) . 16_654
O80 K1 O14 99.5(8) 11_575 6_654
O80 K1 O14 99.5(8) . 6_654
O80 K1 O66 95.4(7) . .
O80 K1 O66 95.4(7) 11_575 .
O80 K1 O80 159.8(17) 11_575 .
O80 K1 O46 61.0(6) 11_575 13_665
O80 K1 O46 115.0(8) 11_575 7_645
O80 K1 O46 61.0(6) . 7_645
O80 K1 O46 115.0(8) . 13_665
O80 K1 O1 86.7(7) 11_575 6_654
O80 K1 O1 86.7(7) . 6_654
O80 K1 O79 62.2(14) 11_575 11_575
O80 K1 O79 98.1(16) 11_575 .
O80 K1 O79 98.1(16) . 11_575
O80 K1 O79 62.2(14) . .
O46 K1 W13 60.6(5) 7_645 11_575
O46 K1 W13 28.5(4) 13_665 11_575
O46 K1 O46 54.9(7) 7_645 13_665
O1 K1 W13 155.15(14) 6_654 11_575
O1 K1 O46 140.0(9) 6_654 7_645
O1 K1 O46 140.0(9) 6_654 13_665
O79 K1 W13 127.2(11) . 11_575
O79 K1 W13 110.2(11) 11_575 11_575
O79 K1 O5 91.1(11) 11_575 16_654
O79 K1 O5 91.1(11) . 6_654
O79 K1 O5 109.7(12) . 16_654
O79 K1 O5 109.7(12) 11_575 6_654
O79 K1 O14 143.4(12) . 6_654
O79 K1 O14 143.4(12) 11_575 6_654
O79 K1 O66 132.9(12) . .
O79 K1 O66 132.9(12) 11_575 .
O79 K1 O46 99.6(12) 11_575 7_645
O79 K1 O46 99.6(12) . 13_665
O79 K1 O46 83.2(11) . 7_645
O79 K1 O46 83.2(11) 11_575 13_665
O79 K1 O1 59.8(10) . 6_654
O79 K1 O1 59.8(10) 11_575 6_654
O79 K1 O79 36(2) . 11_575
O81 Li1 K2 35(4) . .
O84 K2B W15B 23.2(6) . .
O84 K2B Co5 72.4(10) . .
O0CA K2B W15B 154(5) . .
O0CA K2B W15B 126(2) 4_565 .
O0CA K2B O84 152(5) . .
O0CA K2B O84 139(2) 4_565 .
O0CA K2B K2 33(4) . .
O0CA K2B K2 40.1(18) 4_565 .
O0CA K2B Co5 146(2) 4_565 .
O0CA K2B Co5 130(5) . .
K2 K2B W15B 149.2(13) . .
K2 K2B O84 172.4(16) . .
K2 K2B Co5 107.1(9) . .
Co5 K2B W15B 75.5(6) . .
Co4B Co5 K2B 103.2(14) . .
O39 Co5 Co4B 127(2) . .
O39 Co5 K2B 118(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W2 O6 1.926(15) .
W2 O11 1.918(14) .
W2 O12 1.725(15) .
W2 O9 1.889(3) .
W2 Na1 3.72(2) .
W2 O8 2.168(14) .
W2 O13 1.889(15) .
W2 K4 3.994(12) 9_666
W2 K3 3.713(8) .
W4 O23 1.856(15) .
W4 O21 1.949(15) .
W4 O24 1.927(15) .
W4 O22 1.742(15) .
W4 Na1 3.712(15) .
W4 O28 2.169(14) .
W4 O13 1.893(15) .
W8 O23 1.932(15) 12_655
W8 O23 1.932(15) .
W8 O34 1.73(2) .
W8 O35 2.23(2) .
W8 O29 1.902(15) .
W8 O29 1.902(15) 12_655
W1 O6 1.880(15) .
W1 O2 1.923(3) .
W1 O5 1.950(15) .
W1 O3 1.703(16) .
W1 O1 1.930(12) .
W1 O7 2.245(15) .
W1 K4 3.772(11) .
W1 K3 3.809(8) .
W1 K1 4.04(2) 6_655
W3 O11 1.873(15) .
W3 O16 1.932(16) .
W3 O5 1.957(16) .
W3 O15 1.720(15) .
W3 O14 1.919(11) .
W3 O10 2.244(14) .
W3 K1 3.99(3) 6_655
W6 O20 1.955(16) .
W6 O24 1.858(15) .
W6 O30 1.906(16) .
W6 O26 1.913(10) .
W6 O25 1.724(15) .
W6 O27 2.257(13) .
W5 O17 1.925(11) .
W5 O16 1.910(16) .
W5 O19 1.719(16) .
W5 O21 1.881(15) .
W5 O20 1.939(16) .
W5 O18 2.247(13) .
W7 O33 1.956(6) .
W7 O30 1.942(16) .
W7 O31 1.734(16) .
W7 O32 1.906(12) .
W7 O29 1.876(15) .
W7 O1BA 2.262(14) 2_655
W9 O49 2.233(15) .
W9 O47 1.902(11) .
W9 O38 1.685(16) .
W9 O45 1.876(16) .
W9 O46 1.978(18) .
W9 O48 1.900(19) .
W10 O53 1.909(11) .
W10 O51 1.886(17) .
W10 O54 1.928(18) .
W10 O52 1.735(17) .
W10 O50 2.234(15) .
W10 O48 1.975(19) .
W13 O64 1.925(18) .
W13 O66 1.922(11) .
W13 O68 1.862(16) .
W13 O65 1.710(16) .
W13 O67 2.250(15) .
W13 O46 1.891(18) 7_645
W13 K1 3.94(2) .
W11 O56 2.252(15) .
W11 O55 1.880(17) .
W11 O54 1.945(18) .
W11 O57 1.924(12) .
W11 O59 1.894(17) .
W11 O58 1.705(16) .
W12 O64 1.946(17) .
W12 O61 1.915(12) .
W12 O62 2.263(16) .
W12 O63 1.868(17) .
W12 O60 1.687(17) .
W12 O59 1.971(17) .
W15B Na2 3.729(15) .
W15B O55 1.972(17) .
W15B O51 2.012(16) .
W15B O82 2.19(3) .
W15B O84 1.67(3) .
W15B O87 1.96(3) .
W15B O85 1.92(3) .
W15B K2B 3.99(3) .
W16 W14 1.966(3) 7_645
W16 O45 1.974(16) .
W16 O51 1.957(17) .
W16 O76 2.12(3) .
W16 O44 1.72(3) .
W16 O74 1.86(3) .
W14 O68 1.996(16) .
W14 O45 2.006(17) 7_645
W14 Na2 3.677(15) .
W14 O69 2.18(3) .
W14 O70 1.70(3) .
W14 O71 1.88(3) .
W14B O68 1.989(16) .
W14B O63 2.011(17) .
W14B O83 2.14(3) .
W14B O72 1.73(3) .
W14B O87 1.82(3) .
W14B O86 1.93(3) .
W15 O63 2.019(17) .
W15 O55 1.970(16) .
W15 O73 2.18(3) .
W15 O75 1.73(3) .
W15 O71 1.90(3) .
W15 O74 1.91(3) .
Co1 O38 2.06(2) .
Co1 O22 2.042(18) .
Co1 O36 2.14(2) .
Co1 O40 2.15(4) .
Co1 O37 2.23(3) .
Co1 O39 2.05(3) .
P3 O35 1.52(2) 2_655
P3 O35 1.52(2) .
P3 O1BA 1.55(2) 2_655
P3 O1BA 1.55(2) .
O6 K3 3.01(2) .
P5B O62 1.63(3) .
P5B O67 1.65(3) .
P5B O83 1.53(3) .
P5B O83 1.53(3) 11_575
O2 K4 3.15(3) .
P4B O56 1.66(3) .
P4B O50 1.71(3) .
P4B O82 1.55(3) 11_575
P4B O82 1.55(3) .
O5 K1 3.05(3) 6_655
O15 Co3 2.06(3) .
O14 K1 3.05(4) 6_655
O19 Co4A 2.02(3) .
O19 Co4B 1.93(4) .
O12 K4 2.825(18) 9_666
O12 K3 2.779(17) .
O3 K4 2.745(19) .
O3 K3 3.053(19) .
O49 P4 1.63(3) .
O49 P6 1.73(3) 13_665
O66 K1 2.89(3) .
O62 P5 1.71(3) .
O65 Co3 2.12(3) 6_654
O56 P5 1.61(3) .
Na2 Na2 2.85(6) 13_665
Na2 O73 2.65(3) 7_645
Na2 O73 2.65(3) .
Na2 O76 2.69(3) .
Na2 O76 2.69(3) 7_645
Na2 O82 2.61(3) .
Na2 O82 2.61(3) 7_645
Na2 O69 2.63(3) 7_645
Na2 O69 2.63(3) .
Na2 O83 2.69(3) 7_645
Na2 O83 2.69(3) .
Na2 O85 3.00(4) 7_645
O60 Co2B 2.03(3) 4_565
O60 Co2A 2.01(3) 4_565
P4 O50 1.68(3) .
P4 P6 2.15(3) 13_665
P4 O76 1.55(3) 11_575
P4 O76 1.55(3) .
P5 O73 1.51(3) 11_575
P5 O73 1.51(3) .
O35 Na1 2.65(3) .
O80 K1 2.80(3) .
O67 P6 1.67(3) .
P6 O69 1.49(3) 11_575
P6 O69 1.49(3) .
O46 K1 3.31(2) 13_665
O76 O69 1.62(4) 7_645
O44 Co4A 2.36(4) .
O44 Co4B 1.94(5) .
O84 K2B 3.10(4) .
O72 Co2A 1.96(4) .
O75 Co2B 2.03(4) .
O70 Co4A 1.98(4) 7_645
O42 K2 2.07(4) .
O41 K2 3.21(5) .
O1 K1 3.15(3) 6_655
Co4A O43 1.98(8) .
Co4A O2BA 1.32(8) .
Co3 Co3 2.50(4) 4_566
O79 O79 1.77(11) 11_575
O79 K1 2.87(5) .
O85 O86 1.33(5) 7_645
Co2B Co2A 1.05(3) .
Co2B O77 1.67(6) .
Co2A O77 1.71(5) .
O43 O2BA 1.27(10) .
Na1 Na1 2.85(5) 2_655
Na1 O28 2.642(15) .
Na1 O28 2.642(15) 12_655
Na1 O8 2.64(2) .
Na1 O8 2.64(2) 12_655
Co4B O2BA 1.80(9) .
Co4B O6DA 1.63(9) .
Co4B Co5 2.59(6) .
O0CA K2 2.06(8) .
O0CA K2B 1.35(8) .
O81 K2 2.10(8) .
O81 Li1 1.36(9) .
O28 P2 1.533(14) .
P2 O27 1.55(2) .
P2 O18 1.53(2) .
P1 O8 1.532(15) .
P1 O8 1.532(15) 11_565
P1 O7 1.57(2) .
P1 O10 1.57(2) .
K2 Li1 3.06(3) 4_565
K2 Li1 3.06(3) .
K2 K2B 3.06(3) .
K4 K3 3.95(3) 9_666
K4 K3 3.95(3) .
K4 O4 2.968(19) .
K3 O4 2.61(4) .
K2B Co5 3.72(4) .
Co5 O39 1.30(3) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.371 0.138 0.129 5462 1737 ' '
