# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1967584'
loop_
_audit_author_name
_audit_author_address
La
;Fuzhou University
China
;
_audit_update_record             
;
2020-07-09 deposited with the CCDC.	2020-07-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'H129 La9 O240 Si3 W44'
_chemical_formula_weight         13393.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           226
_space_group_name_H-M_alt        'F m -3 c'
_space_group_name_Hall           '-F 4c 2 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y+1/2, x+1, -z+1'
'-y+1/2, -x+1, -z+1'
'y+1/2, -x+1, z+1'
'-y+1/2, x+1, z+1'
'x+1/2, z+1, -y+1'
'-x+1/2, z+1, y+1'
'-x+1/2, -z+1, -y+1'
'x+1/2, -z+1, y+1'
'z+1/2, y+1, -x+1'
'z+1/2, -y+1, x+1'
'-z+1/2, y+1, x+1'
'-z+1/2, -y+1, -x+1'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1, x+1/2, -z+1'
'-y+1, -x+1/2, -z+1'
'y+1, -x+1/2, z+1'
'-y+1, x+1/2, z+1'
'x+1, z+1/2, -y+1'
'-x+1, z+1/2, y+1'
'-x+1, -z+1/2, -y+1'
'x+1, -z+1/2, y+1'
'z+1, y+1/2, -x+1'
'z+1, -y+1/2, x+1'
'-z+1, y+1/2, x+1'
'-z+1, -y+1/2, -x+1'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1, x+1, -z+1/2'
'-y+1, -x+1, -z+1/2'
'y+1, -x+1, z+1/2'
'-y+1, x+1, z+1/2'
'x+1, z+1, -y+1/2'
'-x+1, z+1, y+1/2'
'-x+1, -z+1, -y+1/2'
'x+1, -z+1, y+1/2'
'z+1, y+1, -x+1/2'
'z+1, -y+1, x+1/2'
'-z+1, y+1, x+1/2'
'-z+1, -y+1, -x+1/2'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y-1/2, -x-1/2, z-1/2'
'y-1/2, x-1/2, z-1/2'
'-y-1/2, x-1/2, -z-1/2'
'y-1/2, -x-1/2, -z-1/2'
'-x-1/2, -z-1/2, y-1/2'
'x-1/2, -z-1/2, -y-1/2'
'x-1/2, z-1/2, y-1/2'
'-x-1/2, z-1/2, -y-1/2'
'-z-1/2, -y-1/2, x-1/2'
'-z-1/2, y-1/2, -x-1/2'
'z-1/2, -y-1/2, -x-1/2'
'z-1/2, y-1/2, x-1/2'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y-1/2, -x, z'
'y-1/2, x, z'
'-y-1/2, x, -z'
'y-1/2, -x, -z'
'-x-1/2, -z, y'
'x-1/2, -z, -y'
'x-1/2, z, y'
'-x-1/2, z, -y'
'-z-1/2, -y, x'
'-z-1/2, y, -x'
'z-1/2, -y, -x'
'z-1/2, y, x'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y, -x-1/2, z'
'y, x-1/2, z'
'-y, x-1/2, -z'
'y, -x-1/2, -z'
'-x, -z-1/2, y'
'x, -z-1/2, -y'
'x, z-1/2, y'
'-x, z-1/2, -y'
'-z, -y-1/2, x'
'-z, y-1/2, -x'
'z, -y-1/2, -x'
'z, y-1/2, x'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-y, x, -z-1/2'
'y, -x, -z-1/2'
'-x, -z, y-1/2'
'x, -z, -y-1/2'
'x, z, y-1/2'
'-x, z, -y-1/2'
'-z, -y, x-1/2'
'-z, y, -x-1/2'
'z, -y, -x-1/2'
'z, y, x-1/2'

_cell_length_a                   37.5612(3)
_cell_length_b                   37.5612(3)
_cell_length_c                   37.5612(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     52993.0(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    175(2)
_cell_measurement_reflns_used    41565
_cell_measurement_theta_min      3.068
_cell_measurement_theta_max      25.031

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    3.358
_exptl_crystal_F_000             46880
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_absorpt_coefficient_mu    20.543
_shelx_estimated_absorpt_T_min   0.2101
_shelx_estimated_absorpt_T_max   0.2586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2101
_exptl_absorpt_correction_T_max  0.2586
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      175(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       'Omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38112
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         2.425
_diffrn_reflns_theta_max         25.031
_diffrn_reflns_theta_full        25.031
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             2067
_reflns_number_gt                1941
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0430P)²+4146.2720P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2067
_refine_ls_number_parameters     112
_refine_ls_number_restraints     74
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0319
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0900
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
La1 La 0.0000 0.0000 0.0000 0.0152(5) Uani 1 24 d S T P . .
La2 La 0.09878(2) 0.09878(2) 0.09878(2) 0.0176(2) Uani 1 3 d S T P . .
W1 W 0.04938(2) 0.04499(2) 0.18486(2) 0.02897(15) Uani 1 1 d . . . . .
W2 W 0.09427(2) 0.0000 0.24580(2) 0.0328(2) Uani 0.8145 2 d DS T P . .
W2A W 0.12169(9) 0.0000 0.25378(11) 0.0429(9) Uani 0.1855 2 d DS TU P . .
W3 W 0.05994(2) 0.0000 0.08575(2) 0.01925(19) Uani 0.6667 2 d S T P . .
Si1 Si 0.0000 0.0000 0.2500 0.0205(14) Uani 1 8 d S T P . .
O1 O 0.0619(2) 0.0000 0.0375(2) 0.027(2) Uani 1 2 d S TU P . .
O1W O 0.1428(3) 0.0172(3) 0.1542(3) 0.077(3) Uani 1 1 d . U . . .
O2 O 0.09072(18) 0.03523(16) 0.09325(18) 0.0307(15) Uani 1 1 d . U . . .
O2W O 0.13834(13) 0.0000 0.2564(3) 0.0422(16) Uani 1 2 d DS TU P . .
O3 O 0.0656(2) 0.0743(2) 0.15378(19) 0.0422(16) Uani 1 1 d . U . . .
O3W O 0.1419(3) 0.0782(4) 0.1502(3) 0.102(4) Uani 1 1 d . U . . .
O4 O 0.07607(17) 0.03498(18) 0.27937(17) 0.0297(15) Uani 1 1 d . U . . .
O5 O 0.0000 0.0427(2) 0.1713(2) 0.030(2) Uani 1 2 d S TU P . .
O6 O 0.0567(2) 0.0000 0.1597(2) 0.027(2) Uani 1 2 d S TU P . .
O7 O 0.0349(2) 0.0000 0.2243(2) 0.0218(18) Uani 1 2 d S TU P . .
O8 O 0.09332(19) -0.03618(19) 0.20932(18) 0.0347(16) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
La1 O1 2.718(9) . ?
La1 O1 2.718(9) 105 ?
La1 O1 2.718(9) 9 ?
La1 O1 2.718(9) 97 ?
La1 O1 2.718(9) 101 ?
La1 O1 2.718(9) 5 ?
La1 O1 2.718(9) 106 ?
La1 O1 2.718(9) 6 ?
La1 O1 2.718(9) 102 ?
La1 O1 2.718(9) 2 ?
La1 O1 2.718(9) 98 ?
La1 O1 2.718(9) 10 ?
La2 O2 2.415(6) 9 ?
La2 O2 2.415(6) 5 ?
La2 O2 2.415(6) . ?
La2 O3 2.583(7) 9 ?
La2 O3 2.583(7) 5 ?
La2 O3 2.583(7) . ?
La2 O3W 2.636(10) 9 ?
La2 O3W 2.636(10) 5 ?
La2 O3W 2.636(10) . ?
W1 O3 1.715(8) . ?
W1 O4 1.860(6) 85_445 ?
W1 O8 1.918(7) 99 ?
W1 O5 1.926(2) . ?
W1 O6 1.956(4) . ?
W1 O7 2.312(5) . ?
W2 W2A 1.073(4) . ?
W2 O2W 1.703(4) . ?
W2 O8 1.930(7) . ?
W2 O8 1.930(7) 99 ?
W2 O4 1.945(7) . ?
W2 O4 1.945(7) 99 ?
W2 O7 2.370(9) . ?
W2A O2W 0.633(4) . ?
W2A O4 2.364(7) . ?
W2A O4 2.364(7) 99 ?
W2A O8 2.403(8) 99 ?
W2A O8 2.403(8) . ?
W3 O2 1.780(6) . ?
W3 O2 1.780(6) 99 ?
W3 O1 1.813(9) . ?
Si1 O7 1.629(8) 85_445 ?
Si1 O7 1.629(8) 2 ?
Si1 O7 1.629(8) 86_445 ?
Si1 O7 1.629(8) . ?
O1W O1W 1.295(19) 99 ?
O4 W1 1.860(6) 85_445 ?
O5 W1 1.926(2) 100 ?
O6 W1 1.956(4) 99 ?
O7 W1 2.312(5) 99 ?
O8 W1 1.917(7) 99 ?

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
_geom_angle_publ_flag
O1 La1 O1 116.32(9) . 105 ?
O1 La1 O1 63.68(9) . 9 ?
O1 La1 O1 180.0(4) 105 9 ?
O1 La1 O1 180.0(4) . 97 ?
O1 La1 O1 63.68(9) 105 97 ?
O1 La1 O1 116.32(9) 9 97 ?
O1 La1 O1 116.32(9) . 101 ?
O1 La1 O1 63.68(9) 105 101 ?
O1 La1 O1 116.32(9) 9 101 ?
O1 La1 O1 63.68(9) 97 101 ?
O1 La1 O1 63.68(9) . 5 ?
O1 La1 O1 116.32(9) 105 5 ?
O1 La1 O1 63.68(9) 9 5 ?
O1 La1 O1 116.32(9) 97 5 ?
O1 La1 O1 180.0(4) 101 5 ?
O1 La1 O1 63.68(9) . 106 ?
O1 La1 O1 117.5(4) 105 106 ?
O1 La1 O1 62.5(4) 9 106 ?
O1 La1 O1 116.32(9) 97 106 ?
O1 La1 O1 63.68(9) 101 106 ?
O1 La1 O1 116.32(9) 5 106 ?
O1 La1 O1 63.68(9) . 6 ?
O1 La1 O1 63.68(9) 105 6 ?
O1 La1 O1 116.32(9) 9 6 ?
O1 La1 O1 116.32(9) 97 6 ?
O1 La1 O1 62.5(4) 101 6 ?
O1 La1 O1 117.5(4) 5 6 ?
O1 La1 O1 63.68(9) 106 6 ?
O1 La1 O1 116.32(9) . 102 ?
O1 La1 O1 116.32(9) 105 102 ?
O1 La1 O1 63.68(9) 9 102 ?
O1 La1 O1 63.68(9) 97 102 ?
O1 La1 O1 117.5(4) 101 102 ?
O1 La1 O1 62.5(4) 5 102 ?
O1 La1 O1 116.32(9) 106 102 ?
O1 La1 O1 180.0(4) 6 102 ?
O1 La1 O1 117.5(4) . 2 ?
O1 La1 O1 116.32(9) 105 2 ?
O1 La1 O1 63.68(9) 9 2 ?
O1 La1 O1 62.5(4) 97 2 ?
O1 La1 O1 63.68(9) 101 2 ?
O1 La1 O1 116.32(9) 5 2 ?
O1 La1 O1 63.68(9) 106 2 ?
O1 La1 O1 116.32(9) 6 2 ?
O1 La1 O1 63.68(9) 102 2 ?
O1 La1 O1 62.5(4) . 98 ?
O1 La1 O1 63.68(9) 105 98 ?
O1 La1 O1 116.32(9) 9 98 ?
O1 La1 O1 117.5(4) 97 98 ?
O1 La1 O1 116.32(9) 101 98 ?
O1 La1 O1 63.68(9) 5 98 ?
O1 La1 O1 116.32(9) 106 98 ?
O1 La1 O1 63.68(9) 6 98 ?
O1 La1 O1 116.32(9) 102 98 ?
O1 La1 O1 180.0(4) 2 98 ?
O1 La1 O1 116.32(9) . 10 ?
O1 La1 O1 62.5(4) 105 10 ?
O1 La1 O1 117.5(4) 9 10 ?
O1 La1 O1 63.68(9) 97 10 ?
O1 La1 O1 116.32(9) 101 10 ?
O1 La1 O1 63.68(9) 5 10 ?
O1 La1 O1 180.0(4) 106 10 ?
O1 La1 O1 116.32(9) 6 10 ?
O1 La1 O1 63.68(9) 102 10 ?
O1 La1 O1 116.32(9) 2 10 ?
O1 La1 O1 63.68(9) 98 10 ?
O2 La2 O2 77.3(3) 9 5 ?
O2 La2 O2 77.3(3) 9 . ?
O2 La2 O2 77.3(3) 5 . ?
O2 La2 O3 69.9(2) 9 9 ?
O2 La2 O3 65.9(2) 5 9 ?
O2 La2 O3 134.8(2) . 9 ?
O2 La2 O3 134.8(2) 9 5 ?
O2 La2 O3 69.9(2) 5 5 ?
O2 La2 O3 65.9(2) . 5 ?
O3 La2 O3 119.947(13) 9 5 ?
O2 La2 O3 65.9(2) 9 . ?
O2 La2 O3 134.8(2) 5 . ?
O2 La2 O3 69.9(2) . . ?
O3 La2 O3 119.944(14) 9 . ?
O3 La2 O3 119.950(13) 5 . ?
O2 La2 O3W 81.3(4) 9 9 ?
O2 La2 O3W 132.3(3) 5 9 ?
O2 La2 O3W 137.8(3) . 9 ?
O3 La2 O3W 66.8(3) 9 9 ?
O3 La2 O3W 143.9(4) 5 9 ?
O3 La2 O3W 68.2(3) . 9 ?
O2 La2 O3W 137.8(3) 9 5 ?
O2 La2 O3W 81.3(4) 5 5 ?
O2 La2 O3W 132.3(3) . 5 ?
O3 La2 O3W 68.2(3) 9 5 ?
O3 La2 O3W 66.8(3) 5 5 ?
O3 La2 O3W 143.9(4) . 5 ?
O3W La2 O3W 86.9(5) 9 5 ?
O2 La2 O3W 132.3(3) 9 . ?
O2 La2 O3W 137.8(3) 5 . ?
O2 La2 O3W 81.4(4) . . ?
O3 La2 O3W 143.9(4) 9 . ?
O3 La2 O3W 68.2(3) 5 . ?
O3 La2 O3W 66.8(3) . . ?
O3W La2 O3W 86.9(5) 9 . ?
O3W La2 O3W 86.9(5) 5 . ?
O3 W1 O4 101.1(3) . 85_445 ?
O3 W1 O8 97.6(3) . 99 ?
O4 W1 O8 90.7(3) 85_445 99 ?
O3 W1 O5 100.9(4) . . ?
O4 W1 O5 86.5(3) 85_445 . ?
O8 W1 O5 161.5(3) 99 . ?
O3 W1 O6 100.1(3) . . ?
O4 W1 O6 158.8(3) 85_445 . ?
O8 W1 O6 87.8(3) 99 . ?
O5 W1 O6 88.2(4) . . ?
O3 W1 O7 171.1(3) . . ?
O4 W1 O7 85.8(2) 85_445 . ?
O8 W1 O7 76.6(3) 99 . ?
O5 W1 O7 84.9(3) . . ?
O6 W1 O7 73.2(3) . . ?
W2A W2 O2W 2.7(5) . . ?
W2A W2 O8 102.5(3) . . ?
O2W W2 O8 100.6(4) . . ?
W2A W2 O8 102.5(3) . 99 ?
O2W W2 O8 100.6(4) . 99 ?
O8 W2 O8 89.5(4) . 99 ?
W2A W2 O4 99.0(3) . . ?
O2W W2 O4 100.9(3) . . ?
O8 W2 O4 158.3(3) . . ?
O8 W2 O4 88.7(3) 99 . ?
W2A W2 O4 99.0(3) . 99 ?
O2W W2 O4 100.9(3) . 99 ?
O8 W2 O4 88.7(3) . 99 ?
O8 W2 O4 158.3(3) 99 99 ?
O4 W2 O4 85.0(4) . 99 ?
W2A W2 O7 176.3(3) . . ?
O2W W2 O7 173.6(4) . . ?
O8 W2 O7 75.0(2) . . ?
O8 W2 O7 75.0(2) 99 . ?
O4 W2 O7 83.7(2) . . ?
O4 W2 O7 83.7(2) 99 . ?
O2W W2A W2 172.8(14) . . ?
O2W W2A O4 130.7(9) . . ?
W2 W2A O4 54.4(2) . . ?
O2W W2A O4 130.7(9) . 99 ?
W2 W2A O4 54.4(2) . 99 ?
O4 W2A O4 67.5(3) . 99 ?
O2W W2A O8 123.2(10) . 99 ?
W2 W2A O8 51.7(2) . 99 ?
O4 W2A O8 69.3(2) . 99 ?
O4 W2A O8 106.0(3) 99 99 ?
O2W W2A O8 123.2(10) . . ?
W2 W2A O8 51.7(2) . . ?
O4 W2A O8 106.0(3) . . ?
O4 W2A O8 69.3(2) 99 . ?
O8 W2A O8 68.9(4) 99 . ?
O2 W3 O2 96.1(4) . 99 ?
O2 W3 O1 97.6(3) . . ?
O2 W3 O1 97.6(3) 99 . ?
O7 Si1 O7 110.5(3) 85_445 2 ?
O7 Si1 O7 107.3(6) 85_445 86_445 ?
O7 Si1 O7 110.5(3) 2 86_445 ?
O7 Si1 O7 110.5(3) 85_445 . ?
O7 Si1 O7 107.3(6) 2 . ?
O7 Si1 O7 110.5(3) 86_445 . ?
W3 O1 La1 118.9(4) . . ?
W3 O2 La2 146.1(4) . . ?
W2A O2W W2 4.5(9) . . ?
W1 O3 La2 160.8(4) . . ?
W1 O4 W2 152.3(4) 85_445 . ?
W1 O4 W2A 155.5(4) 85_445 . ?
W2 O4 W2A 26.63(13) . . ?
W1 O5 W1 148.8(5) . 100 ?
W1 O6 W1 119.5(4) . 99 ?
Si1 O7 W1 124.7(3) . 99 ?
Si1 O7 W1 124.7(3) . . ?
W1 O7 W1 93.9(3) 99 . ?
Si1 O7 W2 123.8(4) . . ?
W1 O7 W2 89.9(2) 99 . ?
W1 O7 W2 89.9(2) . . ?
W1 O8 W2 118.5(4) 99 . ?
W1 O8 W2A 144.3(4) 99 . ?
W2 O8 W2A 25.85(12) . . ?

_refine_diff_density_max         3.023
_refine_diff_density_min         -2.312
_refine_diff_density_rms         0.222


# SQUEEZE RESULTS (APPEND TO CIF)
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
1 0.157 -0.002 0.153 21382.9 794.5
_platon_squeeze_details          
; ?
;
