#------------------------------------------------------------------------------
#$Date: 2019-12-14 02:15:57 +0200 (Sat, 14 Dec 2019) $
#$Revision: 245117 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/37/4133772.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_4133772
loop_
_publ_author_name
'Chen, Linfeng'
'San, Khin A.'
'Turo, Michael J.'
'Gembicky, Milan'
'Fereidouni, Shelir'
'Kalaj, Mark'
'Schimpf, Alina M.'
_publ_section_title
;
 Tunable Metal Oxide Frameworks via Coordination Assembly of
 Preyssler-Type Molecular Clusters.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b10277
_journal_year                    2019
_chemical_formula_moiety
'0.13(K26.27 Na12 O1063.33 P40 W240 Zn27.68), 5.67(O), 0.15(Na)'
_chemical_formula_sum            'K3.28 Na1.65 O138.58 P5 W30 Zn3.46'
_chemical_formula_weight         8280.28
_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             2019-08-07
_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                   52.137(3)
_cell_length_b                   21.5598(12)
_cell_length_c                   26.1562(16)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.36
_cell_volume                     29401(3)
_computing_cell_refinement       'SAINT v8.38A (Bruker, 2017)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX-II CCD'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD Area Detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Ultra'
_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  0.0793
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       64
_diffrn_reflns_limit_h_min       -63
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            114520
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.051
_diffrn_reflns_theta_min         1.224
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_type              'Bruker Microstar FR-592'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    24.175
_exptl_absorpt_correction_T_max  0.2598
_exptl_absorpt_correction_T_min  0.1220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1353 before and 0.0830 after correction. The Ratio of minimum to maximum transmission is 0.4696. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'light white'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    3.741
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             28704
_exptl_crystal_size_max          0.042
_exptl_crystal_size_mid          0.027
_exptl_crystal_size_min          0.024
_refine_diff_density_max         3.447
_refine_diff_density_min         -4.716
_refine_diff_density_rms         0.599
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1102
_refine_ls_number_reflns         15064
_refine_ls_number_restraints     2085
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1220
_refine_ls_R_factor_gt           0.0887
_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)+(0.0846P)²+10568.8867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2113
_refine_ls_wR_factor_ref         0.2452
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11140
_reflns_number_total             15064
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b10277_si_006.cif
_cod_data_source_block           ZnImma
_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/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 
;
_cod_database_code               4133772
_shelx_shelxl_version_number     2016/6
_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   0.631
_shelx_estimated_absorpt_t_min   0.361
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(K3) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O79) \\sim Ueq, Uanis(O6DA) \\sim Ueq, Uanis(O77) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(Na1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(K2) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O6AA) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O15) \\sim Ueq, Uanis(O16) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O5BA) \\sim Ueq, Uanis(O4BA) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(O20) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O40) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(Zn4A) = Uanis(Zn4B)
Uanis(Zn1) = Uanis(Zn5)
Uanis(Zn3) = Uanis(Zn1)
Uanis(O43) = Uanis(O2BA) = Uanis(Zn4B) = Uanis(Zn4A)
Uanis(O81) = Uanis(O0CA)
2. 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
3. Others
 Sof(Zn4A)=0.25*(1-FVAR(2))
 Sof(Zn4B)=0.25*FVAR(2)
 Fixed Sof: W14(0.5) W14B(0.5) W15(0.5) W15B(0.5) W16(0.5) Zn1(0.7) Zn2B(0.25)
 Zn2A(0.25) K0AA(0.2) K2B(0.5) P4(0.25) P4B(0.25) P5(0.25) P5B(0.25) P6(0.25)
 Na0A(0.25) Na2(0.25) O0CA(0.25) O2BA(0.25) O6DA(0.25) O37(0.5) O40(0.5)
 O41(0.5) O2B(0.5) O43(0.25) O44(0.5) O69(0.5) O70(0.5) O71(0.5) O72(0.5)
 O73(0.5) O74(0.5) O75(0.5) O76(0.5) O77(0.5) O79(0.5) O81(0.25) O82(0.5)
 O83(0.5) O84(0.5) O85(0.5) O86(0.5) O87(0.5) O78(0.25) O3AA(0.5) Na88(0.125)
 Na9(0.125) O1AA(0.125) O5AA(0.33333) O8AA(0.25) O9AA(0.75) O0BA(0.5)
 O3BA(0.33333) O6(0.33333) O4BA(0.5) O5BA(0.5) O6BA(0.5) O7BA(0.33333)
 O8BA(0.16667) Na1(0.075) K8(0.33333) O4AA(0.5) O6AA(0.16667)
;
_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
W1 W 0.53652(3) 0.32657(5) 0.50907(5) 0.0419(3) Uani 1 1 d . U . . .
W2 W 0.53591(2) 0.40640(4) 0.38453(4) 0.0273(2) Uani 1 1 d . U . . .
W3 W 0.59498(2) 0.32645(5) 0.42444(6) 0.0411(3) Uani 1 1 d . U . . .
W4 W 0.55760(2) 0.40646(4) 0.24824(4) 0.0284(2) Uani 1 1 d . U . . .
W5 W 0.61714(2) 0.32653(5) 0.28626(6) 0.0423(3) Uani 1 1 d . U . . .
W6 W 0.59500(3) 0.32663(5) 0.14917(5) 0.0430(3) Uani 1 1 d . U . . .
W7 W 0.53621(3) 0.32666(6) 0.06337(5) 0.0466(3) Uani 1 1 d . U . . .
W8 W 0.500000 0.40780(7) 0.16324(6) 0.0305(3) Uani 1 2 d S TU P C .
W9 W 0.63515(3) 0.67356(6) 0.29656(7) 0.0502(4) Uani 1 1 d . U . . .
W10 W 0.64318(3) 0.67351(6) 0.15265(6) 0.0502(4) Uani 1 1 d . U . . .
W11 W 0.69209(3) 0.67342(6) 0.04565(5) 0.0510(4) Uani 1 1 d . U . . .
W12 W 0.76325(3) 0.67350(6) 0.01754(5) 0.0528(4) Uani 1 1 d . U . . .
W13 W 0.82913(3) 0.67325(6) 0.07765(6) 0.0518(4) Uani 1 1 d . U . . .
W14 W 0.80263(5) 0.59364(9) 0.19133(9) 0.0320(5) Uani 0.5 1 d . U . A 1
W14B W 0.77519(5) 0.59302(10) 0.13906(10) 0.0336(5) Uani 0.5 1 d . U . A 2
W15 W 0.73768(5) 0.59356(10) 0.13124(10) 0.0338(5) Uani 0.5 1 d . U . A 1
W15B W 0.70477(5) 0.59314(9) 0.16648(9) 0.0304(5) Uani 0.5 1 d . U . A 2
W16 W 0.68954(5) 0.59339(10) 0.23671(10) 0.0340(5) Uani 0.5 1 d . U . A 1
Zn1 Zn 0.58646(15) 0.5554(3) 0.2774(3) 0.0728(16) Uani 0.7 1 d . U . B 2
Zn5 Zn 0.6274(11) 0.494(2) 0.206(2) 0.0728(16) Uani 0.096(12) 1 d . U . A 1
Zn3 Zn 0.6276(6) 0.4404(13) 0.5101(12) 0.0728(16) Uani 0.184(12) 1 d . U . . .
Zn4A Zn 0.6641(9) 0.4413(19) 0.2621(18) 0.051(3) Uani 0.093(7) 1 d . U . A 2
Zn4B Zn 0.6684(5) 0.4460(11) 0.3019(11) 0.051(3) Uani 0.157(7) 1 d . U . A 1
Zn2B Zn 0.7730(7) 0.4448(11) 0.0817(10) 0.097(8) Uani 0.25 1 d . U . A 1
Zn2A Zn 0.7509(5) 0.4415(10) 0.0785(8) 0.077(5) Uani 0.25 1 d . U . A 2
K0AA K 0.8969(7) 0.750000 0.0625(14) 0.078(7) Uani 0.4 2 d S TU P . .
K2 K 0.6109(2) 0.500000 0.000000 0.062(3) Uani 1 2 d S TU P C 1
K2B K 0.6572(5) 0.4993(15) 0.0747(12) 0.130(8) Uani 0.5 1 d . U . A 2
K3 K 0.5472(8) 0.500000 0.500000 0.034(4) Uani 0.22(2) 2 d S TU P . .
P1 P 0.53901(18) 0.250000 0.3943(4) 0.0228(15) Uani 1 2 d S TU P . .
P2 P 0.56341(18) 0.250000 0.2455(4) 0.0231(16) Uani 1 2 d S TU P . .
P3 P 0.500000 0.250000 0.1537(5) 0.026(2) Uani 1 4 d S TU P . .
P4 P 0.6841(4) 0.750000 0.2358(8) 0.027(3) Uani 0.5 2 d S TU P A 1
P4B P 0.7008(4) 0.750000 0.1588(8) 0.030(3) Uani 0.5 2 d S TU P A 2
P5 P 0.7364(4) 0.750000 0.1201(8) 0.030(3) Uani 0.5 2 d S TU P A 1
P5B P 0.7772(4) 0.750000 0.1298(8) 0.029(3) Uani 0.5 2 d S TU P A 2
P6 P 0.8075(4) 0.750000 0.1848(8) 0.027(3) Uani 0.5 2 d S TU P A 1
Na0A Na 0.500000 0.3223(12) 0.2866(11) 0.024(2) Uani 0.5 2 d S TU P C .
Na2 Na 0.750000 0.6775(12) 0.250000 0.024(2) Uani 0.5 2 d S TU P . .
O0CA O 0.646(3) 0.469(7) 0.030(5) 0.090(7) Uani 0.25 1 d . U . A 2
O1 O 0.5413(6) 0.250000 0.5454(11) 0.042(4) Uani 1 2 d S TU P . .
O1BA O 0.4768(5) 0.250000 0.1166(9) 0.029(5) Uani 1 2 d S TU P . .
O2 O 0.500000 0.3217(11) 0.5195(9) 0.035(3) Uani 1 2 d S TU P . .
O2BA O 0.6939(18) 0.401(4) 0.285(4) 0.051(3) Uani 0.25 1 d . U . . .
O3 O 0.5428(4) 0.3793(9) 0.5573(8) 0.044(3) Uani 1 1 d . U . . .
O5 O 0.5721(4) 0.3221(8) 0.4829(7) 0.035(2) Uani 1 1 d . U . . .
O7AA O 0.5302(4) 0.3817(8) 0.4547(7) 0.034(2) Uani 1 1 d . U . . .
O6DA O 0.6596(18) 0.404(4) 0.191(4) 0.050(6) Uani 0.25 1 d . U . . .
O7 O 0.5314(5) 0.250000 0.4526(9) 0.027(3) Uani 1 2 d S TU P . .
O8 O 0.5301(4) 0.3085(7) 0.3697(7) 0.029(2) Uani 1 1 d . U . . .
O9 O 0.500000 0.4115(11) 0.3737(10) 0.030(3) Uani 1 2 d S TU P . .
O10 O 0.5690(5) 0.250000 0.3976(10) 0.028(3) Uani 1 2 d S TU P . .
O11 O 0.5702(4) 0.3799(8) 0.3964(7) 0.034(2) Uani 1 1 d . U . . .
O12 O 0.5409(4) 0.4838(8) 0.3958(7) 0.033(3) Uani 1 1 d . U . . .
O13 O 0.5413(4) 0.4094(8) 0.3126(7) 0.032(2) Uani 1 1 d . U . . .
O14 O 0.6104(6) 0.250000 0.4459(12) 0.042(3) Uani 1 2 d S TU P . .
O15 O 0.6165(4) 0.3771(10) 0.4513(9) 0.043(3) Uani 1 1 d . U . . .
O16 O 0.6116(3) 0.3209(8) 0.3593(8) 0.035(2) Uani 1 1 d . U . . .
O17 O 0.6354(5) 0.250000 0.2871(12) 0.041(3) Uani 1 2 d S TU P . .
O18 O 0.5877(5) 0.250000 0.2786(10) 0.027(3) Uani 1 2 d S TU P . .
O19 O 0.6420(4) 0.3774(10) 0.2894(9) 0.049(3) Uani 1 1 d . U . . .
O20 O 0.6158(4) 0.3220(9) 0.2114(8) 0.040(2) Uani 1 1 d . U . . .
O21 O 0.5889(4) 0.3799(8) 0.2824(7) 0.033(3) Uani 1 1 d . U . . .
O22 O 0.5658(4) 0.4832(9) 0.2452(9) 0.045(3) Uani 1 1 d . U . . .
O23 O 0.5251(4) 0.4111(8) 0.2166(7) 0.032(2) Uani 1 1 d . U . . .
O24 O 0.5744(4) 0.3803(9) 0.1867(8) 0.036(3) Uani 1 1 d . U . . .
O25 O 0.6150(4) 0.3778(9) 0.1178(9) 0.046(4) Uani 1 1 d . U . . .
O26 O 0.6102(6) 0.250000 0.1262(11) 0.040(4) Uani 1 2 d S TU P . .
O27 O 0.5736(5) 0.250000 0.1898(10) 0.029(3) Uani 1 2 d S TU P . .
O28 O 0.5485(3) 0.3078(7) 0.2541(7) 0.028(2) Uani 1 1 d . U . . .
O29 O 0.5249(4) 0.3803(9) 0.1159(7) 0.038(3) Uani 1 1 d . U . . .
O30 O 0.5696(4) 0.3215(9) 0.0975(8) 0.041(3) Uani 1 1 d . U . . .
O31 O 0.5458(5) 0.3782(11) 0.0159(8) 0.052(3) Uani 1 1 d . U . . .
O32 O 0.5417(7) 0.250000 0.0278(12) 0.052(4) Uani 1 2 d S TU P . .
O33 O 0.500000 0.3203(13) 0.0422(10) 0.044(4) Uani 1 2 d S TU P . .
O34 O 0.500000 0.4849(12) 0.1482(11) 0.044(4) Uani 1 2 d S TU P C .
O35 O 0.500000 0.3074(11) 0.1857(10) 0.029(3) Uani 1 2 d S TU P C .
O36 O 0.5635(5) 0.5800(14) 0.3416(11) 0.070(7) Uiso 1 1 d . U . . .
O37 O 0.6018(10) 0.492(2) 0.346(2) 0.063(6) Uani 0.5 1 d . U . . .
O38 O 0.6103(4) 0.6250(11) 0.3058(12) 0.062(4) Uani 1 1 d . U . . .
O39 O 0.6102(6) 0.5371(15) 0.2135(12) 0.081(4) Uani 1 1 d . U . . .
O40 O 0.5717(10) 0.620(2) 0.224(2) 0.064(6) Uani 0.5 1 d . U . . .
O41 O 0.5683(11) 0.501(3) 0.092(2) 0.069(7) Uani 0.5 1 d . U . . .
O2B O 0.6114(10) 0.590(3) 0.027(2) 0.072(7) Uani 0.5 1 d . U . . .
O43 O 0.6903(18) 0.389(4) 0.352(4) 0.051(3) Uani 0.25 1 d . U . A .
O44 O 0.6819(8) 0.5184(18) 0.2363(17) 0.046(5) Uani 0.5 1 d . U . . .
O45 O 0.6626(4) 0.6198(9) 0.2866(9) 0.042(3) Uani 1 1 d . U . . .
O46 O 0.6460(4) 0.6791(8) 0.3705(9) 0.045(3) Uani 1 1 d . U . . .
O47 O 0.6170(6) 0.750000 0.3045(15) 0.053(4) Uani 1 2 d S TU P . .
O48 O 0.6320(4) 0.6799(9) 0.2241(10) 0.052(3) Uani 1 1 d . U . . .
O49 O 0.6633(5) 0.750000 0.2853(12) 0.039(3) Uani 1 2 d S TU P . .
O50 O 0.6699(5) 0.750000 0.1759(12) 0.041(3) Uani 1 2 d S TU P . .
O51 O 0.6685(4) 0.6193(9) 0.1762(9) 0.044(2) Uani 1 1 d . U . . .
O52 O 0.6198(4) 0.6228(10) 0.1304(10) 0.055(4) Uani 1 1 d . U . . .
O53 O 0.6264(6) 0.750000 0.1363(15) 0.055(4) Uani 1 2 d S TU P . .
O54 O 0.6617(5) 0.6790(10) 0.0887(10) 0.053(3) Uani 1 1 d . U . . .
O55 O 0.7062(5) 0.6177(10) 0.0938(8) 0.046(2) Uani 1 1 d . U . . .
O56 O 0.7067(6) 0.750000 0.0955(11) 0.040(3) Uani 1 2 d S TU P . .
O57 O 0.6827(7) 0.750000 0.0122(12) 0.053(4) Uani 1 2 d S TU P . .
O58 O 0.6800(5) 0.6225(10) 0.0010(9) 0.056(4) Uani 1 1 d . U . . .
O59 O 0.7257(5) 0.6780(10) 0.0174(8) 0.052(3) Uani 1 1 d . U . . .
O60 O 0.7667(5) 0.6229(10) -0.0330(8) 0.058(4) Uani 1 1 d . U . . .
O61 O 0.7663(8) 0.750000 -0.0201(12) 0.058(4) Uani 1 2 d S TU P . .
O62 O 0.7601(6) 0.750000 0.0764(10) 0.039(3) Uani 1 2 d S TU P . .
O63 O 0.7601(5) 0.6177(9) 0.0728(8) 0.044(2) Uani 1 1 d . U . . .
O64 O 0.7997(5) 0.6785(9) 0.0338(9) 0.052(3) Uani 1 1 d . U . . .
O65 O 0.8461(5) 0.6221(10) 0.0405(9) 0.053(5) Uani 1 1 d . U . . .
O66 O 0.8419(7) 0.750000 0.0510(12) 0.049(5) Uani 1 2 d S TU P . .
O67 O 0.8097(6) 0.750000 0.1203(11) 0.039(3) Uani 1 2 d S TU P . .
O68 O 0.8106(4) 0.6180(10) 0.1186(8) 0.044(3) Uani 1 1 d . U . . .
O69 O 0.7948(7) 0.6921(15) 0.2014(14) 0.029(3) Uani 0.5 1 d . U . A 1
O70 O 0.8092(7) 0.5152(16) 0.1835(15) 0.034(7) Uani 0.5 1 d . U . . .
O71 O 0.7698(8) 0.5918(16) 0.1669(17) 0.029(3) Uani 0.5 1 d . U . A 1
O72 O 0.7780(9) 0.5134(18) 0.1274(17) 0.047(5) Uani 0.5 1 d . U . . .
O73 O 0.7393(7) 0.6924(16) 0.1503(14) 0.032(3) Uani 0.5 1 d . U . A 1
O74 O 0.7172(8) 0.5930(17) 0.1897(16) 0.032(3) Uani 0.5 1 d . U . A 1
O75 O 0.7375(9) 0.5168(18) 0.1166(15) 0.043(4) Uani 0.5 1 d . U . . .
O76 O 0.6994(7) 0.6901(15) 0.2402(15) 0.031(3) Uani 0.5 1 d . U . A 1
O77 O 0.7611(11) 0.400(3) 0.131(2) 0.068(6) Uani 0.5 1 d . U . . .
O79 O 0.9316(14) 0.708(3) 0.139(3) 0.101(10) Uani 0.5 1 d . U . . .
O80 O 0.9012(5) 0.6196(16) 0.0768(12) 0.080(6) Uani 1 1 d . U . . .
O81 O 0.629(3) 0.482(7) 0.064(5) 0.090(7) Uani 0.25 1 d . U . . .
O82 O 0.7126(7) 0.6914(15) 0.1807(14) 0.028(3) Uani 0.5 1 d . U . A 2
O83 O 0.7712(7) 0.6885(16) 0.1550(14) 0.031(3) Uani 0.5 1 d . U . A 2
O84 O 0.6996(9) 0.5162(18) 0.1567(18) 0.050(5) Uani 0.5 1 d . U . . .
O85 O 0.7058(9) 0.5921(16) 0.2370(15) 0.031(4) Uani 0.5 1 d . U . A 2
O86 O 0.7872(8) 0.5908(18) 0.2100(16) 0.035(4) Uani 0.5 1 d . U . A 2
O87 O 0.7428(8) 0.5907(17) 0.1600(17) 0.031(3) Uani 0.5 1 d . U . A 2
O78 O 0.750000 0.462(4) 0.250000 0.08(2) Uiso 0.5 2 d S TU P . .
O0AA O 0.500000 0.5745(15) 0.3944(13) 0.038(7) Uiso 1 2 d S TU P . .
O2AA O 0.500000 0.5596(17) 0.4137(14) 0.045(8) Uiso 1 2 d S TU P . .
O3AA O 0.5581(8) 0.7198(19) 0.2470(16) 0.043(10) Uiso 0.5 1 d . U . . .
Na88 Na 0.750000 0.716(3) 0.250000 0.026(3) Uani 0.25 2 d S TU P A .
Na9 Na 0.500000 0.285(3) 0.287(2) 0.026(3) Uani 0.25 2 d S TU P C .
O1AA O 0.500000 0.500000 0.500000 0.04(2) Uiso 0.5 4 d S TU P . .
O5AA O 0.6702(17) 0.334(4) 0.424(3) 0.07(2) Uiso 0.3333 1 d . U . . .
O8AA O 0.500000 0.533(4) 0.285(3) 0.08(3) Uiso 0.5 2 d S TU P . .
O9AA O 0.6444(9) 0.435(3) 0.4747(19) 0.111(18) Uani 0.75 1 d . U . D 1
O0BA O 0.6431(8) 0.514(2) 0.1533(16) 0.042(10) Uiso 0.5 1 d . U . A 1
O3BA O 0.6556(17) 0.480(4) 0.466(4) 0.09(2) Uani 0.3333 1 d . U . D 2
O6 O 0.5948(9) 0.484(2) 0.4260(19) 0.025(11) Uiso 0.3333 1 d . U . . .
O4BA O 0.6169(11) 0.483(3) 0.280(2) 0.073(3) Uani 0.5 1 d . U . . .
O5BA O 0.6359(10) 0.514(3) 0.295(2) 0.066(4) Uani 0.5 1 d . U . A .
O6BA O 0.6720(7) 0.5162(18) 0.4236(14) 0.036(9) Uiso 0.5 1 d . U . . .
O7BA O 0.7124(12) 0.319(3) 0.335(2) 0.045(15) Uiso 0.3333 1 d . U . . .
O8BA O 0.723(2) 0.500000 0.000000 0.07(3) Uiso 0.3333 2 d S TU P E 1
Na1 Na 0.500000 0.250000 0.629(6) 0.10(4) Uani 0.3 4 d S TU P . .
K8 K 0.5366(5) 0.4832(11) 0.0636(9) 0.058(3) Uani 0.3333 1 d . U . C 2
O4AA O 0.7627(8) 0.486(2) -0.0183(15) 0.043(10) Uiso 0.5 1 d . U . F 2
O6AA O 0.500000 0.489(5) -0.013(4) 0.058(6) Uani 0.3333 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
K K 0.2009 0.2494 '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'
Zn Zn 0.2839 1.4301 '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
K3 W1 K0AA 107.1(6) . 6_655
O1 W1 K0AA 51.3(10) . 6_655
O1 W1 K3 149.4(8) . .
O1 W1 O2 90.6(12) . .
O1 W1 O5 90.5(11) . .
O1 W1 O7 73.0(8) . .
O2 W1 K0AA 140.3(9) . 6_655
O2 W1 K3 102.0(9) . .
O2 W1 O5 166.5(9) . .
O2 W1 O7 86.3(10) . .
O3 W1 K0AA 81.7(8) . 6_655
O3 W1 K3 50.9(7) . .
O3 W1 O1 100.3(10) . .
O3 W1 O2 96.8(10) . .
O3 W1 O5 96.1(9) . .
O3 W1 O7AA 99.7(9) . .
O3 W1 O7 172.7(9) . .
O5 W1 K0AA 45.8(8) . 6_655
O5 W1 K3 83.6(7) . .
O5 W1 O7 81.2(8) . .
O7AA W1 K0AA 131.4(8) . 6_655
O7AA W1 K3 49.8(6) . .
O7AA W1 O1 159.9(9) . .
O7AA W1 O2 88.2(10) . .
O7AA W1 O5 86.2(8) . .
O7AA W1 O7 86.9(7) . .
O7 W1 K0AA 91.6(7) . 6_655
O7 W1 K3 134.9(5) . .
Na0A W2 K3 158.4(6) . .
O7AA W2 K3 52.9(6) . .
O7AA W2 Na0A 116.7(7) . .
O7AA W2 O8 83.1(7) . .
O8 W2 K3 134.7(5) . .
O8 W2 Na0A 47.2(6) . .
O9 W2 K3 104.4(10) . .
O9 W2 Na0A 54.4(8) . .
O9 W2 O7AA 90.4(10) . .
O9 W2 O8 83.8(9) . .
O9 W2 O11 165.8(9) . .
O9 W2 O13 89.8(10) . .
O11 W2 K3 83.1(8) . .
O11 W2 Na0A 116.5(6) . .
O11 W2 O7AA 84.7(8) . .
O11 W2 O8 82.4(7) . .
O12 W2 K3 45.7(6) . .
O12 W2 Na0A 132.9(7) . .
O12 W2 O7AA 97.4(8) . .
O12 W2 O8 179.1(9) . .
O12 W2 O9 96.9(10) . .
O12 W2 O11 97.0(8) . .
O12 W2 O13 96.5(8) . .
O13 W2 K3 140.2(6) . .
O13 W2 Na0A 53.1(6) . .
O13 W2 O7AA 166.0(7) . .
O13 W2 O8 82.9(7) . .
O13 W2 O11 91.9(8) . .
O5 W3 K0AA 48.2(7) . 6_655
O5 W3 O10 80.8(8) . .
O10 W3 K0AA 92.5(6) . 6_655
O11 W3 K0AA 132.8(8) . 6_655
O11 W3 O5 85.1(8) . .
O11 W3 O10 85.0(7) . .
O11 W3 O14 158.3(9) . .
O11 W3 O16 90.1(8) . .
O14 W3 K0AA 48.4(10) . 6_655
O14 W3 O5 89.2(11) . .
O14 W3 O10 73.4(9) . .
O15 W3 K0AA 79.8(8) . 6_655
O15 W3 O5 96.3(9) . .
O15 W3 O10 171.6(9) . .
O15 W3 O11 102.6(9) . .
O15 W3 O14 98.8(10) . .
O15 W3 O16 96.2(9) . .
O16 W3 K0AA 136.9(7) . 6_655
O16 W3 O5 167.3(7) . .
O16 W3 O10 87.1(8) . .
O16 W3 O14 91.0(11) . .
O13 W4 Na0A 53.2(7) . .
O13 W4 O21 88.8(8) . .
O13 W4 O23 89.1(8) . .
O13 W4 O24 164.7(8) . .
O13 W4 O28 82.7(7) . .
O21 W4 Na0A 114.7(6) . .
O21 W4 O28 82.1(7) . .
O22 W4 Na0A 134.4(8) . .
O22 W4 O13 96.9(9) . .
O22 W4 O21 95.5(9) . .
O22 W4 O23 98.8(9) . .
O22 W4 O24 97.6(9) . .
O22 W4 O28 177.6(9) . .
O23 W4 Na0A 53.7(7) . .
O23 W4 O21 165.7(7) . .
O23 W4 O24 93.3(8) . .
O23 W4 O28 83.6(7) . .
O24 W4 Na0A 117.4(7) . .
O24 W4 O21 85.1(8) . .
O24 W4 O28 82.6(7) . .
O28 W4 Na0A 47.1(6) . .
O16 W5 O18 86.6(8) . .
O16 W5 O20 167.5(7) . .
O17 W5 O16 90.5(11) . .
O17 W5 O18 73.1(8) . .
O17 W5 O20 89.2(11) . .
O19 W5 O16 96.1(9) . .
O19 W5 O17 100.1(10) . .
O19 W5 O18 172.7(10) . .
O19 W5 O20 96.2(10) . .
O19 W5 O21 101.9(10) . .
O20 W5 O18 81.4(8) . .
O21 W5 O16 88.6(8) . .
O21 W5 O17 158.0(9) . .
O21 W5 O18 84.9(7) . .
O21 W5 O20 87.1(8) . .
O20 W6 O27 81.1(9) . .
O24 W6 O20 85.0(8) . .
O24 W6 O26 159.2(9) . .
O24 W6 O27 85.5(7) . .
O24 W6 O30 90.4(8) . .
O25 W6 O20 95.3(10) . .
O25 W6 O24 101.6(9) . .
O25 W6 O26 98.8(10) . .
O25 W6 O27 171.8(9) . .
O25 W6 O30 97.0(10) . .
O26 W6 O20 89.3(11) . .
O26 W6 O27 73.9(8) . .
O30 W6 O20 167.5(8) . .
O30 W6 O26 90.9(11) . .
O30 W6 O27 87.0(9) . .
O1BA W7 K8 136.9(6) 2_655 .
O29 W7 O1BA 84.6(7) . 2_655
O29 W7 O30 88.9(8) . .
O29 W7 O32 157.9(10) . .
O29 W7 O33 87.0(10) . .
O29 W7 K8 52.3(7) . .
O30 W7 O1BA 86.8(8) . 2_655
O30 W7 O33 167.0(9) . .
O30 W7 K8 92.9(7) . .
O31 W7 O1BA 172.2(9) . 2_655
O31 W7 O29 102.6(10) . .
O31 W7 O30 96.1(10) . .
O31 W7 O32 99.3(11) . .
O31 W7 O33 96.8(11) . .
O31 W7 K8 50.3(9) . .
O32 W7 O1BA 73.4(9) . 2_655
O32 W7 O30 92.3(12) . .
O32 W7 O33 86.9(14) . .
O32 W7 K8 149.5(9) . .
O33 W7 O1BA 80.5(10) . 2_655
O33 W7 K8 94.3(10) . .
O23 W8 Na0A 52.1(6) 12_655 .
O23 W8 Na0A 52.1(6) . .
O23 W8 O23 86.3(11) 12_655 .
O23 W8 O35 81.1(7) . .
O23 W8 O35 81.1(7) 12_655 .
O23 W8 K8 98.5(7) 12_655 12_655
O23 W8 K8 98.5(7) . .
O23 W8 K8 150.4(7) 12_655 .
O23 W8 K8 150.4(7) . 12_655
O29 W8 Na0A 114.4(6) . .
O29 W8 Na0A 114.4(6) 12_655 .
O29 W8 O23 91.1(8) . .
O29 W8 O23 163.5(8) 12_655 .
O29 W8 O23 91.1(8) 12_655 12_655
O29 W8 O23 163.5(8) . 12_655
O29 W8 O29 86.8(13) . 12_655
O29 W8 O35 82.5(7) 12_655 .
O29 W8 O35 82.5(7) . .
O29 W8 K8 91.8(7) . 12_655
O29 W8 K8 46.0(7) 12_655 12_655
O29 W8 K8 46.0(7) . .
O29 W8 K8 91.8(7) 12_655 .
O34 W8 Na0A 133.1(11) . .
O34 W8 O23 97.6(9) . 12_655
O34 W8 O23 97.6(9) . .
O34 W8 O29 98.8(9) . .
O34 W8 O29 98.8(9) . 12_655
O34 W8 O35 178.2(12) . .
O34 W8 K8 52.9(9) . 12_655
O34 W8 K8 52.9(9) . .
O35 W8 Na0A 45.1(8) . .
O35 W8 K8 128.5(6) . 12_655
O35 W8 K8 128.5(6) . .
K8 W8 Na0A 148.1(4) . .
K8 W8 Na0A 148.1(4) 12_655 .
O38 W9 O45 103.1(10) . .
O38 W9 O46 96.5(12) . .
O38 W9 O47 98.0(11) . .
O38 W9 O48 97.0(12) . .
O38 W9 O49 170.6(10) . .
O45 W9 O46 87.4(9) . .
O45 W9 O47 158.9(10) . .
O45 W9 O48 88.4(10) . .
O45 W9 O49 86.3(8) . .
O46 W9 O49 84.2(10) . .
O47 W9 O46 89.0(13) . .
O47 W9 O49 72.7(9) . .
O48 W9 O46 166.4(9) . .
O48 W9 O47 90.2(13) . .
O48 W9 O49 82.6(10) . .
O48 W10 O50 82.7(10) . .
O51 W10 O48 86.5(10) . .
O51 W10 O50 86.1(8) . .
O51 W10 O53 159.4(10) . .
O51 W10 O54 88.3(10) . .
O52 W10 O48 99.0(11) . .
O52 W10 O50 171.6(9) . .
O52 W10 O51 102.2(9) . .
O52 W10 O53 98.4(11) . .
O52 W10 O54 95.7(11) . .
O53 W10 O48 91.0(14) . .
O53 W10 O50 73.3(9) . .
O53 W10 O54 89.0(14) . .
O54 W10 O48 165.2(9) . .
O54 W10 O50 83.1(10) . .
O54 W11 O56 84.0(10) . .
O55 W11 O54 88.3(10) . .
O55 W11 O56 87.0(8) . .
O55 W11 O57 160.8(10) . .
O55 W11 O59 86.2(10) . .
O57 W11 O54 90.2(13) . .
O57 W11 O56 73.7(9) . .
O58 W11 O54 97.6(11) . .
O58 W11 O55 100.9(9) . .
O58 W11 O56 171.9(9) . .
O58 W11 O57 98.3(10) . .
O58 W11 O59 96.2(11) . .
O59 W11 O54 165.9(9) . .
O59 W11 O56 82.8(10) . .
O59 W11 O57 90.7(13) . .
O59 W12 O62 83.9(10) . .
O60 W12 O59 97.7(11) . .
O60 W12 O61 98.1(11) . .
O60 W12 O62 172.3(9) . .
O60 W12 O63 101.2(10) . .
O60 W12 O64 95.8(11) . .
O61 W12 O59 92.2(14) . .
O61 W12 O62 74.3(9) . .
O61 W12 O64 89.1(14) . .
O63 W12 O59 86.9(10) . .
O63 W12 O61 160.6(10) . .
O63 W12 O62 86.4(8) . .
O63 W12 O64 87.2(10) . .
O64 W12 O59 166.1(9) . .
O64 W12 O62 83.2(10) . .
O46 W13 K0AA 54.8(8) 7_645 .
O46 W13 O64 168.1(9) 7_645 .
O46 W13 O66 87.9(12) 7_645 .
O46 W13 O67 84.5(10) 7_645 .
O64 W13 K0AA 129.4(8) . .
O64 W13 O67 83.8(10) . .
O65 W13 K0AA 75.5(9) . .
O65 W13 O46 95.5(11) . 7_645
O65 W13 O64 96.4(11) . .
O65 W13 O66 99.8(10) . .
O65 W13 O67 172.4(9) . .
O65 W13 O68 100.4(9) . .
O66 W13 K0AA 44.3(11) . .
O66 W13 O64 90.6(13) . .
O66 W13 O67 72.6(9) . .
O67 W13 K0AA 98.4(7) . .
O68 W13 K0AA 142.4(9) . .
O68 W13 O46 89.2(9) . 7_645
O68 W13 O64 88.1(10) . .
O68 W13 O66 159.7(9) . .
O68 W13 O67 87.2(8) . .
W16 W14 Na2 75.43(12) 7_645 .
W16 W14 O45 61.5(6) 7_645 7_645
W16 W14 O68 151.5(7) 7_645 .
W16 W14 O69 85.7(10) 7_645 .
O45 W14 Na2 115.2(6) 7_645 .
O45 W14 O68 90.7(9) 7_645 .
O45 W14 O69 81.8(11) 7_645 .
O68 W14 Na2 115.2(6) . .
O68 W14 O69 84.2(11) . .
O69 W14 Na2 47.3(10) . .
O70 W14 W16 94.1(13) . 7_645
O70 W14 Na2 133.1(13) . .
O70 W14 O45 97.6(14) . 7_645
O70 W14 O68 95.8(14) . .
O70 W14 O69 179.4(17) . .
O70 W14 O71 96.9(17) . .
O71 W14 W16 122.7(14) . 7_645
O71 W14 Na2 56.7(13) . .
O71 W14 O45 164.5(12) . 7_645
O71 W14 O68 82.5(15) . .
O71 W14 O69 83.6(15) . .
O63 W14B Na2 114.7(6) . .
O63 W14B O68 93.5(9) . .
O63 W14B O83 82.6(12) . .
O68 W14B Na2 114.1(6) . .
O68 W14B O83 83.2(12) . .
O72 W14B Na2 131.0(14) . .
O72 W14B O63 98.3(17) . .
O72 W14B O68 98.0(16) . .
O72 W14B O83 178.4(18) . .
O72 W14B O86 96.6(19) . .
O72 W14B O87 96.1(19) . .
O83 W14B Na2 47.5(10) . .
O86 W14B Na2 51.5(11) . .
O86 W14B O63 164.7(12) . .
O86 W14B O68 87.9(14) . .
O86 W14B O83 82.4(15) . .
O87 W14B Na2 55.2(14) . .
O87 W14B O63 84.3(16) . .
O87 W14B O68 165.9(13) . .
O87 W14B O83 82.7(15) . .
O87 W14B O86 91(2) . .
O55 W15 Na2 115.9(6) . .
O55 W15 O63 92.2(9) . .
O55 W15 O73 83.6(12) . .
O63 W15 Na2 114.8(7) . .
O63 W15 O73 84.2(11) . .
O71 W15 Na2 56.1(12) . .
O71 W15 O55 165.8(12) . .
O71 W15 O63 82.3(15) . .
O71 W15 O73 82.9(14) . .
O73 W15 Na2 47.0(10) . .
O74 W15 Na2 53.6(13) . .
O74 W15 O55 86.2(15) . .
O74 W15 O63 165.0(13) . .
O74 W15 O71 95.8(19) . .
O74 W15 O73 80.9(15) . .
O75 W15 Na2 132.5(14) . .
O75 W15 O55 98.1(16) . .
O75 W15 O63 94.8(15) . .
O75 W15 O71 95.4(18) . .
O75 W15 O73 178.1(19) . .
O75 W15 O74 100.2(18) . .
Na2 W15B K2B 178.6(5) . .
O51 W15B K2B 68.3(8) . .
O51 W15B Na2 113.1(7) . .
O51 W15B O82 83.1(11) . .
O51 W15B O87 164.8(12) . .
O55 W15B K2B 65.2(8) . .
O55 W15B Na2 114.4(7) . .
O55 W15B O51 94.7(10) . .
O55 W15B O82 84.1(11) . .
O55 W15B O87 83.6(15) . .
O82 W15B K2B 134.9(11) . .
O82 W15B Na2 45.9(10) . .
O84 W15B K2B 47.0(18) . .
O84 W15B Na2 132.1(17) . .
O84 W15B O51 98.4(17) . .
O84 W15B O55 97.0(17) . .
O84 W15B O82 178(2) . .
O84 W15B O85 98.3(19) . .
O84 W15B O87 96.8(19) . .
O85 W15B K2B 127.8(14) . .
O85 W15B Na2 52.8(13) . .
O85 W15B O51 84.5(15) . .
O85 W15B O55 164.6(13) . .
O85 W15B O82 80.5(14) . .
O85 W15B O87 93.2(19) . .
O87 W15B K2B 123.6(13) . .
O87 W15B Na2 55.1(12) . .
O87 W15B O82 81.7(14) . .
W14 W16 Na2 73.89(12) 7_645 .
W14 W16 O45 60.6(7) 7_645 .
W14 W16 O51 152.5(7) 7_645 .
W14 W16 O76 84.6(11) 7_645 .
O44 W16 W14 93.4(16) . 7_645
O44 W16 Na2 133.5(16) . .
O44 W16 O45 96.5(16) . .
O44 W16 O51 97.8(17) . .
O44 W16 O74 100.0(19) . .
O44 W16 O76 177.9(19) . .
O45 W16 Na2 113.7(6) . .
O45 W16 O51 93.0(9) . .
O45 W16 O76 82.2(11) . .
O51 W16 Na2 114.1(6) . .
O51 W16 O76 83.9(12) . .
O74 W16 W14 118.2(14) . 7_645
O74 W16 Na2 53.6(13) . .
O74 W16 O45 163.5(12) . .
O74 W16 O51 84.6(15) . .
O74 W16 O76 81.3(15) . .
O76 W16 Na2 46.2(10) . .
O22 Zn1 O36 102.4(10) . .
O22 Zn1 O37 92.7(12) . .
O22 Zn1 O38 174.5(10) . .
O22 Zn1 O39 80.9(11) . .
O22 Zn1 O40 91.8(15) . .
O22 Zn1 O4BA 81.6(16) . .
O36 Zn1 O37 75.0(16) . .
O36 Zn1 O4BA 123.2(18) . .
O38 Zn1 O36 82.8(11) . .
O38 Zn1 O37 86.9(13) . .
O38 Zn1 O39 93.9(12) . .
O38 Zn1 O40 89.0(15) . .
O38 Zn1 O4BA 94.1(17) . .
O39 Zn1 O36 176.3(12) . .
O39 Zn1 O37 106.8(16) . .
O39 Zn1 O4BA 58.7(18) . .
O40 Zn1 O36 98.9(17) . .
O40 Zn1 O37 173.0(19) . .
O40 Zn1 O39 79.1(17) . .
O40 Zn1 O4BA 138(2) . .
O4BA Zn1 O37 48(2) . .
O39 Zn5 O0BA 106(4) . .
O39 Zn5 O4BA 76(4) . .
O39 Zn5 O5BA 82(3) . .
O0BA Zn5 O4BA 163(4) . .
O0BA Zn5 O5BA 132(3) . .
O4BA Zn5 O5BA 32(2) . .
O15 Zn3 Zn3 118.8(19) . 4_566
O15 Zn3 O3BA 146(3) . 4_566
O65 Zn3 Zn3 135.3(11) 6_655 4_566
O65 Zn3 O15 92.3(14) 6_655 .
O65 Zn3 O3BA 88(2) 6_655 4_566
O9AA Zn3 Zn3 87(3) . 4_566
O9AA Zn3 O15 67(2) . .
O9AA Zn3 O65 76(3) . 6_655
O9AA Zn3 O3BA 80(3) . 4_566
O3BA Zn3 O15 93(3) . .
O2BA Zn4A O6DA 102(4) . .
O2BA Zn4A O19 93(3) . .
O2BA Zn4A O44 96(3) . .
O2BA Zn4A O5BA 136(4) . .
O6DA Zn4A O5BA 122(4) . .
O19 Zn4A O6DA 89(3) . .
O19 Zn4A O44 170(3) . .
O19 Zn4A O5BA 88(2) . .
O44 Zn4A O6DA 94(3) . .
O44 Zn4A O5BA 82(2) . .
O2BA Zn4B O19 94(3) . .
O2BA Zn4B O43 54(4) . .
O2BA Zn4B O44 87(3) . .
O2BA Zn4B O70 91(3) . 7_645
O2BA Zn4B O5BA 159(4) . .
O19 Zn4B O43 92(2) . .
O19 Zn4B O44 123.3(17) . .
O19 Zn4B O5BA 87.2(18) . .
O43 Zn4B O44 131(3) . .
O43 Zn4B O5BA 146(3) . .
O70 Zn4B O19 175(2) 7_645 .
O70 Zn4B O43 90(3) 7_645 .
O70 Zn4B O44 57.8(16) 7_645 .
O70 Zn4B O5BA 88(2) 7_645 .
O5BA Zn4B O44 75.0(19) . .
O72 Zn2B O60 177(3) . 4_565
O77 Zn2B O60 91(2) . 4_565
O77 Zn2B O72 91(2) . .
O60 Zn2A O72 120.7(18) 4_565 .
O60 Zn2A O75 171(2) 4_565 .
O60 Zn2A O4AA 87.6(15) 4_565 4_565
O75 Zn2A O72 55.7(16) . .
O75 Zn2A O4AA 83.2(17) . 4_565
O77 Zn2A O60 90(2) . 4_565
O77 Zn2A O72 74(2) . .
O77 Zn2A O75 97(2) . .
O77 Zn2A O4AA 145(3) . 4_565
O4AA Zn2A O72 76.9(16) 4_565 .
O1 K0AA W13 155.0(2) 6_654 11_575
O5 K0AA W13 139.5(13) 6_654 11_575
O5 K0AA W13 109.3(8) 16_654 11_575
O5 K0AA O1 51.9(7) 6_654 6_654
O5 K0AA O1 51.9(7) 16_654 6_654
O5 K0AA O5 61.1(9) 6_654 16_654
O5 K0AA O14 52.5(8) 16_654 6_654
O5 K0AA O14 52.5(8) 6_654 6_654
O5 K0AA O46 167.7(16) 16_654 7_645
O5 K0AA O46 119.7(5) 16_654 13_665
O5 K0AA O46 119.7(5) 6_654 7_645
O5 K0AA O46 167.7(16) 6_654 13_665
O14 K0AA W13 89.4(10) 6_654 11_575
O14 K0AA O1 89.2(11) 6_654 6_654
O14 K0AA O46 117.0(13) 6_654 7_645
O14 K0AA O46 117.0(13) 6_654 13_665
O46 K0AA W13 28.5(5) 13_665 11_575
O46 K0AA W13 61.4(6) 7_645 11_575
O46 K0AA O1 139.5(11) 7_645 6_654
O46 K0AA O1 139.5(11) 13_665 6_654
O46 K0AA O46 56.6(8) 7_645 13_665
O66 K0AA W13 27.7(3) . 11_575
O66 K0AA O1 166.2(16) . 6_654
O66 K0AA O5 117.1(13) . 6_654
O66 K0AA O5 117.1(13) . 16_654
O66 K0AA O14 77.0(13) . 6_654
O66 K0AA O46 50.8(8) . 7_645
O66 K0AA O46 50.8(8) . 13_665
O79 K0AA W13 111.6(16) 11_575 11_575
O79 K0AA W13 129.4(18) . 11_575
O79 K0AA O1 57.8(17) . 6_654
O79 K0AA O1 57.8(17) 11_575 6_654
O79 K0AA O5 107.6(19) . 16_654
O79 K0AA O5 89.0(17) 11_575 16_654
O79 K0AA O5 107.6(19) 11_575 6_654
O79 K0AA O5 89.0(17) . 6_654
O79 K0AA O14 141.0(18) 11_575 6_654
O79 K0AA O14 141.0(18) . 6_654
O79 K0AA O46 84.6(17) . 7_645
O79 K0AA O46 101.9(19) . 13_665
O79 K0AA O46 101.9(19) 11_575 7_645
O79 K0AA O46 84.7(17) 11_575 13_665
O79 K0AA O66 134.8(19) . .
O79 K0AA O66 134.8(19) 11_575 .
O79 K0AA O79 37(3) . 11_575
O80 K0AA W13 118.4(10) . 11_575
O80 K0AA W13 69.0(7) 11_575 11_575
O80 K0AA O1 86.5(9) 11_575 6_654
O80 K0AA O1 86.5(9) . 6_654
O80 K0AA O5 62.9(7) . 6_654
O80 K0AA O5 123.3(11) . 16_654
O80 K0AA O5 62.9(7) 11_575 16_654
O80 K0AA O5 123.3(11) 11_575 6_654
O80 K0AA O14 98.1(10) 11_575 6_654
O80 K0AA O14 98.1(10) . 6_654
O80 K0AA O46 116.9(11) . 13_665
O80 K0AA O46 61.0(7) . 7_645
O80 K0AA O46 116.9(11) 11_575 7_645
O80 K0AA O46 61.0(7) 11_575 13_665
O80 K0AA O66 95.3(9) . .
O80 K0AA O66 95.3(9) 11_575 .
O80 K0AA O79 62.9(17) 11_575 11_575
O80 K0AA O79 62.9(17) . .
O80 K0AA O79 100(2) . 11_575
O80 K0AA O79 100(2) 11_575 .
O80 K0AA O80 162(2) 11_575 .
O41 K2 O41 95(2) . 4_565
O2B K2 O41 75.6(17) 4_565 4_565
O2B K2 O41 75.6(17) . .
O2B K2 O41 105(2) . 4_565
O2B K2 O41 105(2) 4_565 .
O2B K2 O2B 178(3) 4_565 .
O81 K2 O41 72(4) 4_565 4_565
O81 K2 O41 162(4) 4_565 .
O81 K2 O41 72(4) . .
O81 K2 O41 162(4) . 4_565
O81 K2 O2B 96(5) . 4_565
O81 K2 O2B 83(5) 4_565 4_565
O81 K2 O2B 96(5) 4_565 .
O81 K2 O2B 83(5) . .
O81 K2 O81 123(8) . 4_565
K2B K2B W15B 126.6(10) 4_565 .
O0CA K2B W15B 125(3) 4_565 .
O0CA K2B W15B 162(6) . .
O0CA K2B O2B 72(6) . .
O0CA K2B O2B 51(3) 4_565 .
O0CA K2B O81 51(7) . .
O0CA K2B O84 140(3) 4_565 .
O0CA K2B O84 152(6) . .
O2B K2B W15B 111.6(12) . .
O2B K2B K2B 68.0(13) . 4_565
O81 K2B W15B 145(6) . .
O81 K2B K2B 80(5) . 4_565
O81 K2B O0CA 73(5) . 4_565
O81 K2B O2B 52(6) . .
O81 K2B O84 146(5) . .
O84 K2B W15B 23.6(8) . .
O84 K2B K2B 133.6(11) . 4_565
O84 K2B O2B 134.3(15) . .
W2 K3 W1 59.10(11) . .
W2 K3 W1 117.8(3) 4_566 .
W2 K3 W2 161.5(12) 4_566 .
O3 K3 W1 150.8(7) 4_566 .
O3 K3 W1 26.5(4) . .
O3 K3 W2 93.0(4) 4_566 .
O3 K3 W2 85.6(4) . .
O3 K3 W2 85.6(4) 4_566 4_566
O3 K3 W2 93.0(4) . 4_566
O3 K3 O3 171.2(17) . 4_566
O3 K3 O6 105.6(12) . .
O3 K3 O6 81.5(11) . 4_566
O3 K3 O6 81.5(11) 4_566 .
O3 K3 O6 105.6(12) 4_566 4_566
O7AA K3 W1 141.6(10) 4_566 .
O7AA K3 W1 29.2(4) . .
O7AA K3 W2 139.1(9) . 4_566
O7AA K3 W2 31.5(4) . .
O7AA K3 W2 31.5(4) 4_566 4_566
O7AA K3 W2 139.1(9) 4_566 .
O7AA K3 O3 55.2(5) . .
O7AA K3 O3 121.6(7) . 4_566
O7AA K3 O3 121.6(7) 4_566 .
O7AA K3 O3 55.2(5) 4_566 4_566
O7AA K3 O7AA 145.0(17) . 4_566
O7AA K3 O6 125.3(12) 4_566 .
O7AA K3 O6 125.3(12) . 4_566
O7AA K3 O6 83.9(10) . .
O7AA K3 O6 83.9(10) 4_566 4_566
O12 K3 W1 85.4(4) . .
O12 K3 W1 92.6(4) 4_566 .
O12 K3 W2 149.1(8) 4_566 .
O12 K3 W2 149.1(8) . 4_566
O12 K3 W2 26.3(4) 4_566 4_566
O12 K3 W2 26.3(4) . .
O12 K3 O3 67.0(5) . 4_566
O12 K3 O3 111.9(6) 4_566 4_566
O12 K3 O3 111.9(6) . .
O12 K3 O3 67.0(5) 4_566 .
O12 K3 O7AA 57.3(5) 4_566 4_566
O12 K3 O7AA 118.0(8) . 4_566
O12 K3 O7AA 118.0(8) 4_566 .
O12 K3 O7AA 57.3(5) . .
O12 K3 O12 166.3(18) 4_566 .
O12 K3 O6 58.5(10) . .
O12 K3 O6 135.2(16) 4_566 .
O12 K3 O6 58.5(10) 4_566 4_566
O12 K3 O6 135.2(16) . 4_566
O1AA K3 W1 81.5(6) . .
O1AA K3 W2 80.8(6) . .
O1AA K3 W2 80.8(6) . 4_566
O1AA K3 O3 85.6(9) . .
O1AA K3 O3 85.6(9) . 4_566
O1AA K3 O7AA 72.5(8) . .
O1AA K3 O7AA 72.5(8) . 4_566
O1AA K3 O12 83.2(9) . .
O1AA K3 O12 83.2(9) . 4_566
O1AA K3 O6 141.6(10) . 4_566
O1AA K3 O6 141.6(10) . .
O6 K3 W1 92.5(10) . .
O6 K3 W1 100.8(10) 4_566 .
O6 K3 W2 133.5(13) . 4_566
O6 K3 W2 133.5(13) 4_566 .
O6 K3 W2 64.1(9) . .
O6 K3 W2 64.1(9) 4_566 4_566
O6 K3 O6 77(2) . 4_566
O8 P1 O7 109.9(9) 11_565 .
O8 P1 O7 109.9(9) . .
O8 P1 O8 115.7(15) 11_565 .
O8 P1 O10 109.5(9) . .
O8 P1 O10 109.5(9) 11_565 .
O10 P1 O7 101.4(14) . .
O18 P2 O27 104.3(14) . .
O28 P2 O18 110.2(9) 11_565 .
O28 P2 O18 110.2(9) . .
O28 P2 O27 108.8(9) 11_565 .
O28 P2 O27 108.8(9) . .
O28 P2 O28 114.1(15) 11_565 .
O1BA P3 O1BA 102.6(19) . 2_655
O35 P3 O1BA 110.5(7) . 2_655
O35 P3 O1BA 110.5(7) . .
O35 P3 O1BA 110.5(7) 2_655 2_655
O35 P3 O1BA 110.5(7) 2_655 .
O35 P3 O35 112(2) 2_655 .
O49 P4 P6 51.8(13) . 13_665
O49 P4 O50 114.6(18) . .
O50 P4 P6 166.5(16) . 13_665
O76 P4 P6 79.6(17) . 13_665
O76 P4 P6 79.6(17) 11_575 13_665
O76 P4 O49 106.2(17) 11_575 .
O76 P4 O49 106.2(17) . .
O76 P4 O50 106.9(18) . .
O76 P4 O50 106.9(18) 11_575 .
O76 P4 O76 116(3) 11_575 .
O50 P4B O56 116.1(19) . .
O82 P4B O50 106.7(17) . .
O82 P4B O50 106.7(17) 11_575 .
O82 P4B O56 107.4(17) 11_575 .
O82 P4B O56 107.4(17) . .
O56 P5 O62 114.8(18) . .
O73 P5 O56 107.4(18) 11_575 .
O73 P5 O56 107.4(18) . .
O73 P5 O62 106.7(18) 11_575 .
O73 P5 O62 106.7(18) . .
O73 P5 O73 114(3) 11_575 .
O62 P5B O67 114.2(18) . .
O83 P5B O62 104.9(18) . .
O83 P5B O62 104.9(18) 11_575 .
O83 P5B O67 105.5(17) 11_575 .
O83 P5B O67 105.5(17) . .
O49 P6 P4 51.0(12) 13_665 13_665
O67 P6 P4 164.4(16) . 13_665
O67 P6 O49 113.4(18) . 13_665
O69 P6 P4 78.8(17) 11_575 13_665
O69 P6 P4 78.7(17) . 13_665
O69 P6 O49 105.3(18) 11_575 13_665
O69 P6 O49 105.3(18) . 13_665
O69 P6 O67 108.8(17) 11_575 .
O69 P6 O67 108.8(17) . .
O69 P6 O69 115(3) . 11_575
O8 Na0A O8 71.2(10) 12_655 .
O8 Na0A O9 57.0(7) 12_655 .
O8 Na0A O9 57.0(7) . .
O8 Na0A O13 108.1(10) 12_655 .
O8 Na0A O13 57.1(6) 12_655 12_655
O8 Na0A O13 57.1(6) . .
O8 Na0A O13 108.1(10) . 12_655
O8 Na0A O23 145.9(11) 12_655 .
O8 Na0A O23 145.9(11) . 12_655
O8 Na0A O23 108.2(7) 12_655 12_655
O8 Na0A O23 108.2(7) . .
O13 Na0A O9 53.9(6) 12_655 .
O13 Na0A O9 53.9(6) . .
O13 Na0A O13 94.3(10) . 12_655
O13 Na0A O23 93.1(9) . 12_655
O13 Na0A O23 53.4(6) . .
O13 Na0A O23 93.1(9) 12_655 .
O13 Na0A O23 53.4(6) 12_655 12_655
O23 Na0A O9 93.2(9) . .
O23 Na0A O9 93.2(9) 12_655 .
O23 Na0A O23 52.6(9) . 12_655
O28 Na0A O8 72.2(6) 12_655 12_655
O28 Na0A O8 142.2(11) 12_655 .
O28 Na0A O8 142.2(11) . 12_655
O28 Na0A O8 72.2(6) . .
O28 Na0A O9 108.5(7) 12_655 .
O28 Na0A O9 108.5(7) . .
O28 Na0A O13 57.1(5) . .
O28 Na0A O13 146.9(11) 12_655 .
O28 Na0A O13 146.9(11) . 12_655
O28 Na0A O13 57.1(5) 12_655 12_655
O28 Na0A O23 107.3(10) 12_655 .
O28 Na0A O23 57.4(6) 12_655 12_655
O28 Na0A O23 57.4(6) . .
O28 Na0A O23 107.3(10) . 12_655
O28 Na0A O28 140.6(13) . 12_655
O35 Na0A O8 141.9(6) . 12_655
O35 Na0A O8 141.8(6) . .
O35 Na0A O9 146.7(13) . .
O35 Na0A O13 107.8(9) . .
O35 Na0A O13 107.8(9) . 12_655
O35 Na0A O23 57.5(8) . .
O35 Na0A O23 57.5(8) . 12_655
O35 Na0A O28 70.9(7) . 12_655
O35 Na0A O28 70.9(7) . .
Na9 Na0A O8 83.4(14) 2_655 .
Na9 Na0A O8 83(4) . 12_655
Na9 Na0A O8 83(4) . .
Na9 Na0A O8 83.4(14) 2_655 12_655
Na9 Na0A O9 129(5) . .
Na9 Na0A O9 129.8(19) 2_655 .
Na9 Na0A O13 129.4(16) . 12_655
Na9 Na0A O13 129.6(8) 2_655 .
Na9 Na0A O13 129.4(17) . .
Na9 Na0A O13 129.6(8) 2_655 12_655
Na9 Na0A O23 130.7(16) 2_655 .
Na9 Na0A O23 131(4) . 12_655
Na9 Na0A O23 130.7(16) 2_655 12_655
Na9 Na0A O23 131(4) . .
Na9 Na0A O28 83.7(16) . .
Na9 Na0A O28 83.5(8) 2_655 12_655
Na9 Na0A O28 83.4(8) 2_655 .
Na9 Na0A O28 83.7(16) . 12_655
Na9 Na0A O35 84(5) . .
Na9 Na0A O35 83.5(18) 2_655 .
Na9 Na0A Na9 1(3) . 2_655
O69 Na2 O69 166.6(18) 7_645 .
O69 Na2 O73 73.0(12) . .
O69 Na2 O73 73.0(12) 7_645 7_645
O69 Na2 O73 105.4(12) 7_645 .
O69 Na2 O73 105.4(12) . 7_645
O69 Na2 O82 70.9(11) . 7_645
O69 Na2 O82 107.6(11) 7_645 7_645
O69 Na2 O83 37.3(11) 7_645 7_645
O69 Na2 O83 140.8(12) . 7_645
O73 Na2 O73 166.3(19) . 7_645
O73 Na2 O83 35.9(12) 7_645 7_645
O73 Na2 O83 142.1(12) . 7_645
O76 Na2 O69 143.7(12) 7_645 7_645
O76 Na2 O69 143.7(12) . .
O76 Na2 O69 33.9(12) . 7_645
O76 Na2 O69 33.9(12) 7_645 .
O76 Na2 O73 106.7(12) . 7_645
O76 Na2 O73 71.8(12) 7_645 7_645
O76 Na2 O73 71.8(12) . .
O76 Na2 O73 106.7(12) 7_645 .
O76 Na2 O76 168.4(18) . 7_645
O76 Na2 O82 37.1(11) 7_645 7_645
O76 Na2 O82 140.8(12) . 7_645
O76 Na2 O83 71.3(12) . 7_645
O76 Na2 O83 107.7(12) 7_645 7_645
O82 Na2 O83 108.1(11) 7_645 .
O82 Na2 O83 70.7(11) . .
Na88 Na2 O69 83.3(9) 13_665 .
Na88 Na2 O69 83.3(9) 13_665 7_645
Na88 Na2 O69 83.3(9) . 7_645
Na88 Na2 O69 83.3(9) . .
Na88 Na2 O73 83.2(9) . 7_645
Na88 Na2 O73 83.2(9) 13_665 .
Na88 Na2 O73 83.2(9) 13_665 7_645
Na88 Na2 O73 83.2(9) . .
Na88 Na2 O76 84.2(9) 13_665 .
Na88 Na2 O76 84.2(9) . 7_645
Na88 Na2 O76 84.2(9) . .
Na88 Na2 O76 84.2(9) 13_665 7_645
Na88 Na2 O82 83.6(9) . 7_645
Na88 Na2 O82 83.6(9) . .
Na88 Na2 O82 83.6(9) 13_665 .
Na88 Na2 O82 83.6(9) 13_665 7_645
Na88 Na2 O83 85.0(9) . .
Na88 Na2 O83 85.0(9) 13_665 7_645
Na88 Na2 O83 85.0(9) . 7_645
Na88 Na2 O83 85.0(9) 13_665 .
Na88 Na2 Na88 0.000(5) . 13_665
O81 O0CA K2B 137(10) . 4_565
O81 O0CA K2B 68(8) . .
W1 O1 W1 118.5(14) 11_565 .
W1 O1 K0AA 101.3(11) . 6_655
W1 O1 K0AA 101.3(11) 11_565 6_655
W7 O1BA W7 93.7(9) 2_655 12_655
P3 O1BA W7 128.2(7) . 2_655
P3 O1BA W7 128.2(7) . 12_655
W1 O2 W1 162.6(15) . 12_655
Zn4B O2BA O43 75(5) . .
O43 O2BA Zn4A 107(6) . .
W1 O3 K3 102.6(9) . .
W1 O5 K0AA 106.6(11) . 6_655
W3 O5 W1 147.7(10) . .
W3 O5 K0AA 103.6(11) . 6_655
W1 O7AA W2 149.8(11) . .
W1 O7AA K3 100.9(7) . .
W2 O7AA K3 95.6(7) . .
W1 O7 W1 95.4(9) . 11_565
P1 O7 W1 127.7(7) . 11_565
P1 O7 W1 127.7(7) . .
W2 O8 Na0A 96.8(8) . .
W2 O8 Na9 113.8(13) . .
P1 O8 W2 134.8(11) . .
P1 O8 Na0A 128.4(11) . .
P1 O8 Na9 111.4(15) . .
Na0A O8 Na9 17.0(11) . .
W2 O9 W2 161.6(16) . 12_655
W2 O9 Na0A 94.4(7) . .
W2 O9 Na0A 94.4(7) 12_655 .
W3 O10 W3 94.4(9) 11_565 .
P1 O10 W3 128.3(7) . 11_565
P1 O10 W3 128.3(7) . .
W3 O11 W2 153.2(11) . .
W2 O12 K3 108.0(8) . .
W2 O13 Na0A 95.6(9) . .
W4 O13 W2 161.3(11) . .
W4 O13 Na0A 95.9(8) . .
W3 O14 W3 118.5(14) 11_565 .
W3 O14 K0AA 103.8(11) 11_565 6_655
W3 O14 K0AA 103.8(11) . 6_655
W3 O15 Zn3 151.3(15) . .
W3 O16 W5 160.3(10) . .
W5 O17 W5 119.9(14) 11_565 .
W5 O18 W5 93.7(9) . 11_565
P2 O18 W5 127.6(7) . .
P2 O18 W5 127.6(7) . 11_565
W5 O19 Zn4A 154(2) . .
W5 O19 Zn4B 170.7(17) . .
W6 O20 W5 147.9(11) . .
W5 O21 W4 149.9(11) . .
W4 O22 Zn1 146.9(13) . .
W4 O23 W8 158.6(11) . .
W4 O23 Na0A 95.3(7) . .
W8 O23 Na0A 97.2(8) . .
W6 O24 W4 152.9(11) . .
W6 O26 W6 117.9(14) 11_565 .
W6 O27 W6 94.0(9) . 11_565
P2 O27 W6 127.7(8) . .
P2 O27 W6 127.7(8) . 11_565
W4 O28 Na0A 96.5(8) . .
W4 O28 Na9 113.5(13) . .
P2 O28 W4 133.9(11) . .
P2 O28 Na0A 129.6(11) . .
P2 O28 Na9 112.6(15) . .
Na0A O28 Na9 17.0(11) . .
W7 O29 W8 151.9(12) . .
W7 O29 K8 93.7(9) . .
W8 O29 K8 103.4(10) . .
W6 O30 W7 160.5(11) . .
W7 O31 K8 99.1(10) . .
W7 O32 W7 119.0(16) . 11_565
W7 O33 W7 146.4(15) 12_655 .
W8 O34 K8 99.3(11) . 12_655
W8 O34 K8 99.3(11) . .
W8 O35 Na0A 98.3(10) . .
W8 O35 Na9 115.4(15) . .
P3 O35 W8 130.8(15) . .
P3 O35 Na0A 131.0(15) . .
P3 O35 Na9 113.8(18) . .
Na0A O35 Na9 17.2(11) . .
W9 O38 Zn1 148.7(18) . .
O2BA O43 Zn4B 51(4) . .
W16 O44 Zn4B 134(2) . .
W9 O45 W14 147.1(12) . 7_645
W9 O45 W16 144.0(13) . .
W14 O45 W16 57.9(6) 7_645 .
W9 O46 K0AA 110.9(11) . 13_665
W13 O46 W9 151.6(11) 7_645 .
W13 O46 K0AA 96.7(11) 7_645 13_665
W9 O47 W9 119.2(15) 11_575 .
W9 O48 W10 156.4(13) . .
W9 O49 W9 95.5(10) . 11_575
P4 O49 W9 121.7(11) . .
P4 O49 W9 121.7(11) . 11_575
P4 O49 P6 77.2(15) . 13_665
P6 O49 W9 121.7(11) 13_665 .
P6 O49 W9 121.7(11) 13_665 11_575
W10 O50 W10 94.7(10) . 11_575
P4 O50 W10 120.7(11) . 11_575
P4 O50 W10 120.7(11) . .
P4B O50 W10 121.7(11) . .
W10 O51 W15B 143.8(12) . .
W10 O51 W16 145.2(13) . .
W10 O53 W10 118.8(16) . 11_575
W10 O54 W11 154.4(13) . .
W11 O55 W15 145.0(13) . .
W11 O55 W15B 142.9(13) . .
W11 O56 W11 95.1(10) . 11_575
P4B O56 W11 120.7(11) . .
P5 O56 W11 122.6(10) . .
P5 O56 W11 122.6(10) . 11_575
W11 O57 W11 117.5(15) . 11_575
W11 O59 W12 156.3(12) . .
W12 O60 Zn2B 170.0(17) . 4_565
W12 O60 Zn2A 148.4(18) . 4_565
Zn2B O60 Zn2A 33.8(11) 4_565 4_565
W12 O61 W12 117.7(16) . 11_575
W12 O62 W12 93.6(10) 11_575 .
P5 O62 W12 120.9(11) . 11_575
P5 O62 W12 120.9(11) . .
P5B O62 W12 122.4(11) . .
W12 O63 W14B 144.0(13) . .
W12 O63 W15 143.5(13) . .
W13 O64 W12 155.0(13) . .
W13 O65 Zn3 166.5(19) . 6_654
W13 O66 W13 119.5(14) . 11_575
W13 O66 K0AA 108.0(12) . .
W13 O66 K0AA 108.0(12) 11_575 .
W13 O67 W13 95.3(10) . 11_575
P5B O67 W13 121.3(11) . .
P6 O67 W13 121.9(11) . .
P6 O67 W13 121.9(11) . 11_575
W13 O68 W14 144.3(13) . .
W13 O68 W14B 143.4(13) . .
W14 O69 Na2 96.1(13) . .
W14 O69 Na88 113.9(18) . .
P6 O69 W14 135(2) . .
P6 O69 Na2 129(2) . .
P6 O69 O76 103(3) . 7_645
P6 O69 Na88 111(2) . .
Na2 O69 Na88 17.8(11) . .
O76 O69 W14 93(2) 7_645 .
O76 O69 Na2 72.5(18) 7_645 .
O76 O69 Na88 73.3(18) 7_645 .
W14 O70 Zn4B 148(2) . 7_645
W14 O71 W15 171(3) . .
W14B O72 Zn2A 131(2) . .
W15 O73 Na2 96.5(14) . .
W15 O73 Na88 114.2(18) . .
P5 O73 W15 134(2) . .
P5 O73 Na2 130(2) . .
P5 O73 Na88 112(2) . .
Na2 O73 Na88 17.8(11) . .
W15 O74 W16 165(3) . .
W15 O74 Na2 95.9(15) . .
W16 O74 Na2 95.3(15) . .
W16 O76 Na2 98.2(14) . .
W16 O76 Na88 116.0(18) . .
P4 O76 W16 134(2) . .
P4 O76 Na2 128(2) . .
P4 O76 O69 99(3) . 7_645
P4 O76 Na88 110(2) . .
Na2 O76 Na88 17.8(11) . .
O69 O76 W16 97(2) 7_645 .
O69 O76 Na2 73.6(19) 7_645 .
O69 O76 Na88 73.3(19) 7_645 .
O79 O79 K0AA 71.6(15) 11_575 .
O0CA O81 K2B 60(8) . .
W15B O82 Na2 98.2(13) . .
W15B O82 Na88 115.9(18) . .
P4B O82 W15B 132(2) . .
P4B O82 Na2 130(2) . .
P4B O82 Na88 112(2) . .
Na2 O82 Na88 17.8(11) . .
W14B O83 Na2 97.8(14) . .
W14B O83 Na88 115.2(18) . .
P5B O83 W14B 138(2) . .
P5B O83 Na2 124(2) . .
P5B O83 Na88 106(2) . .
Na2 O83 Na88 17.4(11) . .
W15B O84 K2B 109(2) . .
W15B O85 Na2 97.5(15) . .
O86 O85 W15B 167(4) 7_645 .
O86 O85 Na2 73(2) 7_645 .
W14B O86 Na2 96.4(14) . .
O85 O86 W14B 175(3) 7_645 .
O85 O86 Na2 79(2) 7_645 .
W14B O87 W15B 167(3) . .
Na2 Na88 Na2 180.0 . 13_665
Na2 Na88 O69 101.1(14) 13_665 .
Na2 Na88 O69 101.1(14) 13_665 7_645
Na2 Na88 O69 78.9(14) . 7_645
Na2 Na88 O69 78.9(14) . .
Na2 Na88 O73 100.9(14) 13_665 7_645
Na2 Na88 O73 79.1(14) . .
Na2 Na88 O73 100.9(14) 13_665 .
Na2 Na88 O73 79.1(14) . 7_645
Na2 Na88 O76 78.0(13) . .
Na2 Na88 O76 102.0(13) 13_665 .
Na2 Na88 O76 78.0(13) . 7_645
Na2 Na88 O76 102.0(13) 13_665 7_645
Na2 Na88 O82 101.4(14) 13_665 7_645
Na2 Na88 O82 78.6(14) . .
Na2 Na88 O82 78.6(14) . 7_645
Na2 Na88 O82 101.4(14) 13_665 .
Na2 Na88 O83 77.6(13) . .
Na2 Na88 O83 102.4(13) 13_665 .
Na2 Na88 Na88 180.00(2) . 13_665
O69 Na88 O69 158(3) 7_645 .
O69 Na88 O73 72.0(12) 7_645 7_645
O69 Na88 O73 103.7(13) 7_645 .
O69 Na88 O73 103.7(13) . 7_645
O69 Na88 O73 72.0(12) . .
O69 Na88 O82 105.6(13) 7_645 7_645
O69 Na88 O82 69.8(11) . 7_645
O73 Na88 O73 158(3) . 7_645
O76 Na88 O69 33.4(12) 7_645 .
O76 Na88 O69 33.4(12) . 7_645
O76 Na88 O69 139.0(17) . .
O76 Na88 O69 139.0(17) 7_645 7_645
O76 Na88 O73 70.7(12) . .
O76 Na88 O73 104.6(13) . 7_645
O76 Na88 O73 104.6(13) 7_645 .
O76 Na88 O73 70.7(12) 7_645 7_645
O76 Na88 O76 156(3) . 7_645
O76 Na88 O82 136.2(16) . 7_645
O76 Na88 O82 36.5(11) 7_645 7_645
O82 Na88 O83 105.5(13) 7_645 .
O82 Na88 O83 69.3(12) . .
Na88 Na88 Na2 0.000(8) 13_665 13_665
Na88 Na88 O69 101.1(13) 13_665 7_645
Na88 Na88 O69 101.1(14) 13_665 .
Na88 Na88 O73 100.9(14) 13_665 .
Na88 Na88 O73 100.9(14) 13_665 7_645
Na88 Na88 O76 102.0(13) 13_665 7_645
Na88 Na88 O76 102.0(13) 13_665 .
Na88 Na88 O82 101.4(13) 13_665 7_645
Na88 Na88 O82 101.4(13) 13_665 .
Na88 Na88 O83 102.4(13) 13_665 .
Na0A Na9 Na0A 178(6) . 2_655
Na0A Na9 O8 101.0(19) 2_655 12_655
Na0A Na9 O8 101.0(19) 2_655 .
Na0A Na9 O8 80(4) . 12_655
Na0A Na9 O8 80(4) . .
Na0A Na9 O28 79.3(19) . .
Na0A Na9 O28 79.3(19) . 12_655
Na0A Na9 O28 100.2(13) 2_655 12_655
Na0A Na9 O28 100.2(13) 2_655 .
Na0A Na9 O35 100(2) 2_655 .
Na0A Na9 O35 79(5) . .
Na0A Na9 Na9 179(5) . 2_655
O8 Na9 O8 70.7(16) 12_655 .
O8 Na9 O28 71.4(7) 12_655 12_655
O8 Na9 O28 139(2) . 12_655
O8 Na9 O28 139(2) 12_655 .
O8 Na9 O28 71.4(7) . .
O28 Na9 O28 137(2) . 12_655
O35 Na9 O8 138.5(14) . .
O35 Na9 O8 138.5(14) . 12_655
O35 Na9 O28 69.8(12) . 12_655
O35 Na9 O28 69.8(12) . .
Na9 Na9 Na0A 0.4(16) 2_655 2_655
Na9 Na9 O8 100.7(12) 2_655 .
Na9 Na9 O8 100.7(12) 2_655 12_655
Na9 Na9 O28 100.3(12) 2_655 12_655
Na9 Na9 O28 100.3(12) 2_655 .
Na9 Na9 O35 100.2(13) 2_655 .
K3 O1AA K3 180.0 . 9_666
Zn3 O3BA Zn3 73(4) . 4_566
O6BA O3BA Zn3 166(6) . .
O6BA O3BA Zn3 99(5) . 4_566
O5BA O4BA Zn1 101(4) . .
O5BA O4BA Zn5 91(4) . .
Zn4B O5BA Zn5 96(3) . .
O4BA O5BA Zn5 58(4) . .
O4BA O5BA Zn4A 91(4) . .
O4BA O5BA Zn4B 105(4) . .
W7 K8 W8 63.2(4) . .
W7 K8 K8 89.6(5) . 12_655
W7 K8 K8 102.2(10) . 4_565
W8 K8 K8 58.1(4) . 12_655
O29 K8 W7 34.0(5) . .
O29 K8 W8 30.6(5) . .
O29 K8 O34 58.3(8) . .
O29 K8 K8 76.8(7) . 12_655
O29 K8 K8 132.5(13) . 4_565
O29 K8 O6AA 104(2) . .
O31 K8 W7 30.6(5) . .
O31 K8 W8 92.9(8) . .
O31 K8 O29 64.5(8) . .
O31 K8 O34 119.3(11) . .
O31 K8 K8 100.5(8) . 12_655
O31 K8 K8 73.7(10) . 4_565
O31 K8 O6AA 80(2) . .
O34 K8 W7 90.6(8) . .
O34 K8 W8 27.8(5) . .
O34 K8 K8 49.2(6) . 12_655
O34 K8 K8 137.5(7) . 4_565
O41 K8 W7 102(2) . .
O41 K8 W8 105.7(17) . .
O41 K8 O29 99.5(19) . .
O41 K8 O31 102(2) . .
O41 K8 O34 106(2) . .
O41 K8 K8 153.2(19) . 12_655
O41 K8 K8 110.6(17) . 4_565
O41 K8 O6AA 154(3) . .
O41 K8 O6AA 152(3) . 9_665
K8 K8 W8 143.1(7) 4_565 .
O6AA K8 W7 92(2) . .
O6AA K8 W7 104(3) 9_665 .
O6AA K8 W8 100.1(19) . .
O6AA K8 W8 95(2) 9_665 .
O6AA K8 O29 108(3) 9_665 .
O6AA K8 O31 96(3) 9_665 .
O6AA K8 O34 95.4(16) . .
O6AA K8 O34 84(2) 9_665 .
O6AA K8 K8 54(2) 9_665 4_565
O6AA K8 K8 46.3(15) . 12_655
O6AA K8 K8 37(2) 9_665 12_655
O6AA K8 K8 44.4(16) . 4_565
O6AA K8 O6AA 17(4) 9_665 .
K8 O6AA K8 87(3) 12_655 .
K8 O6AA K8 163(4) 9_665 .
K8 O6AA K8 82.1(12) 4_565 .
O6AA O6AA K8 56(8) 9_665 .
O6AA O6AA K8 107(10) 9_665 9_665
O6AA O6AA K8 107(10) 9_665 4_565
O6AA O6AA K8 56(8) 9_665 12_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 K0AA 4.09(3) 6_655
W1 K3 3.788(6) .
W1 O1 1.921(14) .
W1 O2 1.926(4) .
W1 O3 1.730(19) .
W1 O5 1.98(2) .
W1 O7AA 1.883(19) .
W1 O7 2.231(17) .
W2 K3 3.680(7) .
W2 Na0A 3.65(2) .
W2 O7AA 1.933(19) .
W2 O8 2.166(16) .
W2 O9 1.897(4) .
W2 O11 1.905(19) .
W2 O12 1.715(17) .
W2 O13 1.904(19) .
W3 K0AA 3.99(3) 6_655
W3 O5 1.94(2) .
W3 O10 2.247(17) .
W3 O11 1.878(19) .
W3 O14 1.918(14) .
W3 O15 1.72(2) .
W3 O16 1.92(2) .
W4 Na0A 3.650(15) .
W4 O13 1.886(19) .
W4 O21 1.948(19) .
W4 O22 1.711(19) .
W4 O23 1.886(19) .
W4 O24 1.916(19) .
W4 O28 2.185(16) .
W5 O16 1.94(2) .
W5 O17 1.906(14) .
W5 O18 2.262(17) .
W5 O19 1.70(2) .
W5 O20 1.96(2) .
W5 O21 1.870(19) .
W6 O20 1.96(2) .
W6 O24 1.860(19) .
W6 O25 1.73(2) .
W6 O26 1.928(14) .
W6 O27 2.260(17) .
W6 O30 1.90(2) .
W7 O1BA 2.265(17) 2_655
W7 O29 1.89(2) .
W7 O30 1.96(2) .
W7 O31 1.74(2) .
W7 O32 1.918(16) .
W7 O33 1.972(8) .
W7 K8 3.38(2) .
W8 Na0A 3.72(3) .
W8 O23 1.916(19) .
W8 O23 1.916(19) 12_655
W8 O29 1.89(2) 12_655
W8 O29 1.89(2) .
W8 O34 1.71(3) .
W8 O35 2.24(2) .
W8 K8 3.62(2) .
W8 K8 3.62(2) 12_655
W9 O38 1.68(2) .
W9 O45 1.86(2) .
W9 O46 2.02(3) .
W9 O47 1.911(15) .
W9 O48 1.91(3) .
W9 O49 2.226(18) .
W10 O48 1.96(3) .
W10 O50 2.242(19) .
W10 O51 1.87(2) .
W10 O52 1.74(2) .
W10 O53 1.916(15) .
W10 O54 1.94(3) .
W11 O54 1.95(3) .
W11 O55 1.89(2) .
W11 O56 2.239(19) .
W11 O57 1.932(16) .
W11 O58 1.72(2) .
W11 O59 1.90(3) .
W12 O59 1.96(3) .
W12 O60 1.72(2) .
W12 O61 1.927(16) .
W12 O62 2.263(19) .
W12 O63 1.89(2) .
W12 O64 1.95(3) .
W13 K0AA 3.92(3) .
W13 O46 1.88(2) 7_645
W13 O64 1.92(3) .
W13 O65 1.71(2) .
W13 O66 1.915(14) .
W13 O67 2.239(18) .
W13 O68 1.87(2) .
W14 W16 1.926(4) 7_645
W14 Na2 3.627(13) .
W14 O45 1.98(2) 7_645
W14 O68 2.02(2) .
W14 O69 2.18(3) .
W14 O70 1.74(3) .
W14 O71 1.83(4) .
W14B Na2 3.670(13) .
W14B O63 1.97(2) .
W14B O68 2.00(2) .
W14B O72 1.75(4) .
W14B O83 2.11(3) .
W14B O86 1.96(4) .
W14B O87 1.78(4) .
W15 Na2 3.652(13) .
W15 O55 1.98(2) .
W15 O63 1.99(2) .
W15 O71 1.92(4) .
W15 O73 2.19(4) .
W15 O74 1.86(4) .
W15 O75 1.70(4) .
W15B K2B 4.00(2) .
W15B Na2 3.694(13) .
W15B O51 1.99(2) .
W15B O55 1.98(2) .
W15B O82 2.19(3) .
W15B O84 1.70(4) .
W15B O85 1.85(4) .
W15B O87 1.99(4) .
W16 Na2 3.654(13) .
W16 O44 1.67(4) .
W16 O45 2.00(2) .
W16 O51 2.01(2) .
W16 O74 1.90(4) .
W16 O76 2.15(3) .
Zn1 O22 2.07(2) .
Zn1 O36 2.13(3) .
Zn1 O37 2.39(6) .
Zn1 O38 2.08(3) .
Zn1 O39 2.12(3) .
Zn1 O40 2.11(6) .
Zn1 O4BA 2.23(6) .
Zn5 O39 1.30(6) .
Zn5 O0BA 1.66(7) .
Zn5 O4BA 2.03(8) .
Zn5 O5BA 2.40(8) .
Zn3 Zn3 2.62(6) 4_566
Zn3 O15 2.13(3) .
Zn3 O65 2.08(4) 6_655
Zn3 O9AA 1.28(5) .
Zn3 O3BA 2.05(10) .
Zn3 O3BA 2.35(11) 4_566
Zn4A O2BA 1.88(11) .
Zn4A O6DA 2.03(10) .
Zn4A O19 1.93(4) .
Zn4A O44 2.02(6) .
Zn4A O5BA 2.31(7) .
Zn4B O2BA 1.71(10) .
Zn4B O19 2.05(3) .
Zn4B O43 2.12(10) .
Zn4B O44 2.42(5) .
Zn4B O70 1.93(4) 7_645
Zn4B O5BA 2.25(6) .
Zn2B O60 1.97(3) 4_565
Zn2B O72 1.92(5) .
Zn2B O77 1.73(6) .
Zn2A O60 2.00(3) 4_565
Zn2A O72 2.46(5) .
Zn2A O75 2.03(4) .
Zn2A O77 1.73(6) .
Zn2A O4AA 2.31(5) 4_565
K0AA O1 3.26(5) 6_654
K0AA O5 3.06(3) 6_654
K0AA O5 3.06(3) 16_654
K0AA O14 3.07(5) 6_654
K0AA O46 3.22(3) 7_645
K0AA O46 3.22(3) 13_665
K0AA O66 2.88(5) .
K0AA O79 2.85(8) .
K0AA O79 2.85(8) 11_575
K0AA O80 2.85(3) 11_575
K0AA O80 2.85(3) .
K2 O41 3.28(5) .
K2 O41 3.28(5) 4_565
K2 O2B 2.08(6) 4_565
K2 O2B 2.08(6) .
K2 O81 1.95(12) 4_565
K2 O81 1.95(12) .
K2B K2B 3.91(7) 4_565
K2B O0CA 2.89(14) 4_565
K2B O0CA 1.45(12) .
K2B O2B 3.33(7) .
K2B O81 1.55(13) .
K2B O84 3.10(5) .
K3 O3 3.01(2) .
K3 O3 3.01(2) 4_566
K3 O7AA 2.95(2) .
K3 O7AA 2.95(2) 4_566
K3 O12 2.769(19) .
K3 O12 2.769(19) 4_566
K3 O1AA 2.46(4) .
K3 O6 3.17(6) .
K3 O6 3.17(6) 4_566
P1 O7 1.57(3) .
P1 O8 1.491(17) .
P1 O8 1.491(17) 11_565
P1 O10 1.56(3) .
P2 O18 1.53(3) .
P2 O27 1.55(3) .
P2 O28 1.485(17) .
P2 O28 1.484(17) 11_565
P3 O1BA 1.55(3) .
P3 O1BA 1.55(3) 2_655
P3 O35 1.49(3) 2_655
P3 O35 1.49(3) .
P4 P6 2.12(3) 13_665
P4 O49 1.69(4) .
P4 O50 1.73(4) .
P4 O76 1.52(3) .
P4 O76 1.52(3) 11_575
P4B O50 1.67(4) .
P4B O56 1.68(4) .
P4B O82 1.52(4) 11_575
P4B O82 1.52(4) .
P5 O56 1.67(4) .
P5 O62 1.68(3) .
P5 O73 1.48(4) 11_575
P5 O73 1.48(4) .
P5B O62 1.65(4) .
P5B O67 1.71(3) .
P5B O83 1.51(4) 11_575
P5B O83 1.51(4) .
P6 O49 1.71(3) 13_665
P6 O67 1.69(3) .
P6 O69 1.48(3) 11_575
P6 O69 1.48(3) .
Na0A O8 2.70(3) .
Na0A O8 2.70(3) 12_655
Na0A O9 2.98(4) .
Na0A O13 2.94(3) 12_655
Na0A O13 2.94(3) .
Na0A O23 2.96(3) 12_655
Na0A O23 2.96(3) .
Na0A O28 2.69(2) .
Na0A O28 2.69(2) 12_655
Na0A O35 2.66(4) .
Na0A Na9 0.80(5) .
Na0A Na9 2.32(7) 2_655
Na2 O69 2.68(4) 7_645
Na2 O69 2.68(4) .
Na2 O73 2.69(4) 7_645
Na2 O73 2.69(4) .
Na2 O76 2.67(4) 7_645
Na2 O76 2.66(4) .
Na2 O82 2.68(4) .
Na2 O82 2.68(4) 7_645
Na2 O83 2.73(4) 7_645
Na2 O83 2.73(4) .
Na2 Na88 0.83(5) .
Na2 Na88 2.29(7) 13_665
O0CA O81 1.31(18) .
O2BA O43 1.78(13) .
O8 Na9 2.72(5) .
O28 Na9 2.72(3) .
O29 K8 2.68(3) .
O31 K8 2.63(3) .
O34 K8 2.92(3) 12_655
O34 K8 2.92(3) .
O35 Na9 2.70(6) .
O41 K8 1.85(6) .
O69 O76 1.56(5) 7_645
O69 Na88 2.71(4) .
O73 Na88 2.72(4) .
O76 Na88 2.71(4) .
O79 O79 1.80(15) 11_575
O82 Na88 2.72(4) .
O83 Na88 2.78(4) .
O85 O86 1.43(6) 7_645
O0AA O2AA 0.60(4) .
O3AA O3AA 1.30(8) 11_575
Na88 Na88 1.45(11) 13_665
Na9 Na9 1.52(11) 2_655
O3BA O6BA 1.60(10) .
O4BA O5BA 1.26(7) .
K8 K8 3.82(5) 12_655
K8 K8 3.41(5) 4_565
K8 O6AA 2.41(7) 9_665
K8 O6AA 2.77(8) .
O4AA O4AA 1.14(8) 4_565
O6AA O6AA 0.82(18) 9_665
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 0.362 0.250 0.250 1920 632 ' '
2 0.360 0.750 -0.250 1920 632 ' '
