#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:45:21 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/21/7042143.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_7042143
loop_
_publ_author_name
'Peng, Qingpo'
'Li, Shujun'
'Wang, Ruoya'
'Liu, Shuxia'
'Xie, Linhua'
'Zhai, Jianxin'
'Zhang, Jie'
'Zhao, Qianyi'
'Chen, Xuenian'
_publ_section_title
;
 Lanthanide derivatives of Ta/W mixed-addendum POMs as proton-conducting
 materials.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4157
_journal_page_last               4160
_journal_paper_doi               10.1039/c7dt00091j
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'H76 La3 O100 P2 Ta3 W15'
_chemical_formula_weight         5455.87
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-02-11 deposited with the CCDC.
2017-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.3113(12)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.3527(3)
_cell_length_b                   18.9578(4)
_cell_length_c                   16.8222(4)
_cell_measurement_reflns_used    9735
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.78
_cell_volume                     4319.71(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Diamond
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35702
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.503
_exptl_absorpt_coefficient_mu    25.276
_exptl_absorpt_correction_T_max  0.6319
_exptl_absorpt_correction_T_min  0.0334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2016/2 (Bruker, 2016) was used for absorption correction. R(int) was 0.1872 before and 0.0842 after correction. The Ratio of minimum to maximum transmission is 0.0522. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.195
_exptl_crystal_description       plate
_exptl_crystal_F_000             4812
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.020
_refine_diff_density_max         5.700
_refine_diff_density_min         -5.403
_refine_diff_density_rms         1.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         7841
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0797
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2270
_refine_ls_wR_factor_ref         0.2539
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6253
_reflns_number_total             7841
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00091j2.cif
_cod_data_source_block           111333
_cod_depositor_comments
'Adding full bibliography for 7042142--7042145.cif.'
_cod_database_code               7042143
_shelx_shelxl_version_number     2014/7
_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_min   0.033
_shelx_estimated_absorpt_t_max   0.632
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
La1 La 0.69617(9) 0.48712(6) 0.70641(9) 0.0321(3) Uani 1 1 d . . .
La2 La 0.19381(13) 0.7500 0.80572(13) 0.0348(4) Uani 1 2 d S T P
O7 O 0.8277(18) 0.7500 1.5877(16) 0.044(6) Uani 1 2 d S TU P
O8 O 0.9679(11) 0.6793(7) 1.5318(10) 0.030(3) Uani 1 1 d . U .
O9 O 1.1358(12) 0.6036(9) 1.5319(12) 0.043(4) Uani 1 1 d . . .
O10 O 1.1145(16) 0.7500 1.5062(17) 0.038(6) Uani 1 2 d S T P
O11 O 0.9401(14) 0.7500 1.3909(12) 0.022(4) Uani 1 2 d S TU P
O12 O 1.1012(10) 0.6658(7) 1.3728(9) 0.024(3) Uani 1 1 d . U .
O13 O 0.7783(11) 0.6824(9) 1.4254(11) 0.039(4) Uani 1 1 d . . .
O14 O 0.5953(15) 0.6237(11) 1.3598(13) 0.056(5) Uani 1 1 d . U .
O15 O 0.6517(17) 0.7500 1.3065(15) 0.038(5) Uani 1 2 d S T P
O16 O 0.7596(12) 0.5689(9) 1.3302(11) 0.040(4) Uani 1 1 d . U .
O17 O 0.8996(14) 0.4756(9) 1.3033(13) 0.050(5) Uani 1 1 d . . .
O18 O 0.9532(11) 0.5980(8) 1.3983(11) 0.037(4) Uani 1 1 d . . .
O19 O 0.9696(11) 0.5994(8) 1.2495(10) 0.033(3) Uani 1 1 d . U .
O20 O 1.1686(11) 0.6052(8) 1.2579(10) 0.035(3) Uani 1 1 d . . .
O21 O 1.1425(15) 0.7500 1.2646(13) 0.027(4) Uani 1 2 d S TU P
O22 O 0.9578(14) 0.7500 1.2508(13) 0.024(4) Uani 1 2 d S TU P
O26 O 1.0185(10) 0.6718(7) 1.1351(9) 0.026(3) Uani 1 1 d . U .
O27 O 1.0098(12) 0.6039(10) 0.9889(13) 0.052(5) Uani 1 1 d . . .
O28 O 0.9846(17) 0.7500 0.9976(17) 0.043(6) Uani 1 2 d S T P
O29 O 0.8577(10) 0.5988(7) 1.0604(9) 0.029(3) Uani 1 1 d . . .
O30 O 0.8408(15) 0.7500 1.0572(13) 0.027(4) Uani 1 2 d S TU P
O31 O 0.8283(11) 0.6630(7) 0.9162(10) 0.028(3) Uani 1 1 d . U .
O32 O 0.7417(13) 0.4755(9) 1.0400(12) 0.045(4) Uani 1 1 d . U .
O33 O 0.7844(11) 0.5607(7) 1.1768(9) 0.027(3) Uani 1 1 d . . .
O34 O 0.6039(11) 0.5679(8) 1.0687(10) 0.033(3) Uani 1 1 d . . .
O35 O 0.7013(10) 0.6837(7) 1.0820(9) 0.026(3) Uani 1 1 d . . .
O36 O 0.6836(11) 0.5957(7) 0.9454(11) 0.036(4) Uani 1 1 d . . .
O37 O 0.6206(12) 0.6403(9) 1.2069(10) 0.037(4) Uani 1 1 d . U .
O38 O 0.4352(10) 0.6214(8) 1.0955(10) 0.033(3) Uani 1 1 d . . .
O39 O 0.5389(15) 0.7500 1.1196(13) 0.030(5) Uani 1 2 d S T P
O40 O 0.5048(10) 0.6792(7) 0.9759(9) 0.027(3) Uani 1 1 d . U .
O41 O 0.3679(15) 0.7500 0.8305(15) 0.033(5) Uani 1 2 d S T P
O42 O 0.5438(10) 0.6767(7) 0.8285(9) 0.025(3) Uani 1 1 d . U .
O43 O 0.6719(14) 0.7500 0.9466(13) 0.026(4) Uani 1 2 d S TU P
O44 O 0.6824(12) 0.6002(8) 0.7701(11) 0.036(4) Uani 1 1 d . . .
O45 O 0.6969(15) 0.7500 0.7960(14) 0.031(5) Uani 1 2 d S T P
O22W O 0.3874(18) 0.7500 0.2034(16) 0.043(5) Uani 1 2 d S TU P
O57 O 0.81670(2) 0.68392(2) 1.27428(2) 0.039(4) Uani 1 1 d . . .
O2W O 0.88939(2) 0.68527(2) 0.76531(2) 0.139(16) Uani 1 1 d R . .
O3W O 0.99415(2) 0.51048(2) 0.86961(2) 0.104(10) Uani 1 1 d R . .
O4W O 0.23192(2) 0.67408(2) 0.93742(2) 0.110(10) Uani 1 1 d R U .
H4WA H 0.2867 0.6885 0.9745 0.165 Uiso 1 1 d R U .
H4WB H 0.2380 0.6301 0.9252 0.165 Uiso 1 1 d R U .
O5W O 0.24936(2) 0.62225(2) 0.78649(2) 0.060(5) Uani 1 1 d R . .
H5WA H 0.3064 0.6139 0.8245 0.090 Uiso 1 1 d R U .
H5WB H 0.2544 0.6181 0.7366 0.090 Uiso 1 1 d R U .
O6W O 0.23038(2) 0.75000(2) 0.66579(2) 0.038(5) Uani 1 2 d R T P
H6WA H 0.2939 0.7500 0.6763 0.057 Uiso 1 2 d R U P
H6WB H 0.2049 0.7875 0.6369 0.057 Uiso 0.5 1 d R U P
O7W O 0.05805(2) 0.67282(2) 0.70556(2) 0.058(5) Uani 1 1 d R . .
H7WA H 0.0161 0.6607 0.7305 0.087 Uiso 1 1 d R U .
H7WB H 0.0847 0.6352 0.6928 0.087 Uiso 1 1 d R U .
O8W O 0.03717(2) 0.75000(2) 0.85800(2) 0.18(2) Uani 1 2 d R TU P
H8WA H 0.0511 0.7739 0.9046 0.273 Uiso 0.5 1 d R U P
H8WB H 0.0225 0.7068 0.8668 0.273 Uiso 0.5 1 d R U P
O9W O 0.55717(2) 0.47517(2) 0.76758(2) 0.060(5) Uani 1 1 d R U .
H9WA H 0.5042 0.4598 0.7290 0.089 Uiso 1 1 d R U .
H9WB H 0.5453 0.5162 0.7853 0.089 Uiso 1 1 d R U .
O10W O 0.68839(2) 0.57815(2) 0.59101(2) 0.095(8) Uani 1 1 d R U .
H10A H 0.6304 0.5978 0.5736 0.142 Uiso 1 1 d R U .
H10B H 0.6994 0.5570 0.5491 0.142 Uiso 1 1 d R U .
O11W O 0.53258(2) 0.50534(2) 0.59526(2) 0.089(8) Uani 1 1 d R U .
H11A H 0.4929 0.4717 0.5989 0.134 Uiso 1 1 d R U .
H11B H 0.5391 0.5044 0.5457 0.134 Uiso 1 1 d R U .
O12W O 0.61914(2) 0.36081(2) 0.68705(2) 0.036(3) Uani 1 1 d R U .
H12A H 0.6657 0.3295 0.6950 0.053 Uiso 1 1 d R U .
H12B H 0.5775 0.3567 0.6362 0.053 Uiso 1 1 d R U .
O13W O 0.72051(2) 0.42740(2) 0.57486(2) 0.037(4) Uani 1 1 d R . .
H13A H 0.7289 0.3822 0.5835 0.055 Uiso 1 1 d R U .
H13B H 0.7723 0.4454 0.5666 0.055 Uiso 1 1 d R U .
O14W O 0.86650(2) 0.53806(2) 0.71497(2) 0.076(7) Uani 1 1 d R . .
H14A H 0.8586 0.5801 0.6930 0.113 Uiso 1 1 d R U .
H14B H 0.8936 0.5108 0.6872 0.113 Uiso 1 1 d R U .
O15W O 0.78370(2) 0.47622(2) 0.86060(2) 0.109(9) Uani 1 1 d R U .
H15A H 0.8457 0.4865 0.8710 0.163 Uiso 1 1 d R U .
H15B H 0.7785 0.4330 0.8759 0.163 Uiso 1 1 d R U .
O16W O 0.44012(2) 0.55143(2) 0.84850(2) 0.046(4) Uani 1 1 d R . .
O17W O 0.32001(2) 0.75000(2) 0.40160(2) 0.049(6) Uani 1 2 d R TU P
O18W O 0.34450(2) 0.53248(2) 0.58674(2) 0.057(5) Uani 1 1 d R . .
O19W O 0.13015(2) 0.45783(2) 0.45460(2) 0.062(6) Uani 1 1 d R . .
O20W O 0.38797(2) 0.65597(2) 0.67137(2) 0.052(5) Uani 1 1 d R . .
O21W O 0.43520(2) 0.75000(2) 0.56370(2) 0.093(13) Uani 1 2 d R T P
P1 P 0.87954(2) 0.75000(2) 1.29502(2) 0.0206(15) Uani 1 2 d R T P
P2 P 0.73000(2) 0.75000(2) 1.04561(2) 0.0217(14) Uani 1 2 d R TU P
Ta1 Ta 0.68253(2) 0.66037(2) 0.84890(2) 0.0279(3) Uani 1 1 d R . .
Ta2 Ta 0.49776(2) 0.75000(2) 0.88650(2) 0.0253(3) Uani 1 2 d R T P
W1 W 0.93146(2) 0.66090(2) 1.01613(2) 0.0307(3) Uani 1 1 d R . .
W2 W 0.73070(2) 0.56465(2) 1.05421(2) 0.0288(3) Uani 1 1 d R . .
W3 W 0.54449(2) 0.65345(2) 1.08934(2) 0.0287(3) Uani 1 1 d R . .
W4 W 1.07117(2) 0.66223(2) 1.24922(2) 0.0257(3) Uani 1 1 d R . .
W5 W 0.86801(2) 0.56407(2) 1.28817(2) 0.0322(3) Uani 1 1 d R . .
W6 W 0.68405(2) 0.65282(2) 1.32205(2) 0.0365(3) Uani 1 1 d R . .
W7 W 1.05121(2) 0.65974(2) 1.46356(2) 0.0264(3) Uani 1 1 d R . .
W8 W 0.86259(2) 0.75000(2) 1.49814(2) 0.0313(3) Uani 1 2 d R T P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
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'
Ta Ta -0.7052 6.5227 '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
O44 La1 O15W 72.6(4) . .
O44 La1 O11W 90.8(4) . .
O15W La1 O11W 144.90(5) . .
O44 La1 O20 132.2(5) . 3_767
O15W La1 O20 67.2(3) . 3_767
O11W La1 O20 136.9(4) . 3_767
O44 La1 O9W 73.2(4) . .
O15W La1 O9W 76.3 . .
O11W La1 O9W 69.2 . .
O20 La1 O9W 119.0(4) 3_767 .
O44 La1 O10W 75.6(4) . .
O15W La1 O10W 136.33(5) . .
O11W La1 O10W 63.0 . .
O20 La1 O10W 118.8(4) 3_767 .
O9W La1 O10W 121.5 . .
O44 La1 O14W 81.9(4) . .
O15W La1 O14W 80.3 . .
O11W La1 O14W 128.88(6) . .
O20 La1 O14W 67.0(4) 3_767 .
O9W La1 O14W 149.89(6) . .
O10W La1 O14W 66.2 . .
O44 La1 O13W 143.9(4) . .
O15W La1 O13W 133.2 . .
O11W La1 O13W 77.4 . .
O20 La1 O13W 66.1(3) 3_767 .
O9W La1 O13W 130.41(5) . .
O10W La1 O13W 68.6 . .
O14W La1 O13W 79.6 . .
O44 La1 O12W 140.3(4) . .
O15W La1 O12W 95.8 . .
O11W La1 O12W 77.2 . .
O20 La1 O12W 69.9(4) 3_767 .
O9W La1 O12W 67.2 . .
O10W La1 O12W 127.59(6) . .
O14W La1 O12W 134.6 . .
O13W La1 O12W 70.5 . .
O41 La2 O4W 86.4(5) . .
O41 La2 O4W 86.4(5) . 4_575
O4W La2 O4W 68.88(5) . 4_575
O41 La2 O7W 129.5(4) . .
O4W La2 O7W 98.4 . .
O4W La2 O7W 142.25(8) 4_575 .
O41 La2 O7W 129.5(4) . 4_575
O4W La2 O7W 142.25(8) . 4_575
O4W La2 O7W 98.4 4_575 4_575
O7W La2 O7W 69.40(5) . 4_575
O41 La2 O6W 69.1(6) . .
O4W La2 O6W 138.2 . .
O4W La2 O6W 138.2 4_575 .
O7W La2 O6W 74.95(5) . .
O7W La2 O6W 74.95(5) 4_575 .
O41 La2 O5W 71.13(11) . .
O4W La2 O5W 66.1 . .
O4W La2 O5W 130.38(8) 4_575 .
O7W La2 O5W 65.5 . .
O7W La2 O5W 130.18(8) 4_575 .
O6W La2 O5W 73.9 . .
O41 La2 O5W 71.13(11) . 4_575
O4W La2 O5W 130.38(8) . 4_575
O4W La2 O5W 66.1 4_575 4_575
O7W La2 O5W 130.18(8) . 4_575
O7W La2 O5W 65.5 4_575 4_575
O6W La2 O5W 73.9 . 4_575
O5W La2 O5W 136.98(7) . 4_575
O41 La2 O8W 152.4(6) . .
O4W La2 O8W 71.1 . .
O4W La2 O8W 71.1 4_575 .
O7W La2 O8W 71.2 . .
O7W La2 O8W 71.2 4_575 .
O6W La2 O8W 138.50(8) . .
O5W La2 O8W 111.5 . .
O5W La2 O8W 111.5 4_575 .
W7 O8 W8 121.7(8) . .
W7 O10 W7 121.8(12) . 4_575
P1 O11 W7 125.5(6) . .
P1 O11 W7 125.5(6) . 4_575
W7 O11 W7 91.8(7) . 4_575
P1 O11 W8 122.4(10) . .
W7 O11 W8 90.7(6) . .
W7 O11 W8 90.7(6) 4_575 .
W7 O12 W4 146.7(8) . .
W6 O13 W8 153.6(10) . .
W6 O15 W6 152.5(14) . 4_575
W6 O16 W5 121.8(9) . .
W7 O18 W5 150.3(9) . .
W4 O19 W5 154.7(9) . .
W4 O20 La1 169.5(9) . 3_767
W4 O21 W4 119.6(10) 4_575 .
P1 O22 W4 129.0(6) . 4_575
P1 O22 W4 129.0(6) . .
W4 O22 W4 91.0(6) 4_575 .
W4 O26 W1 162.2(8) . .
W1 O28 W1 123.1(11) . 4_575
W1 O29 W2 147.1(8) . .
P2 O30 W1 127.4(6) . .
P2 O30 W1 127.4(6) . 4_575
W1 O30 W1 90.9(7) . 4_575
W1 O31 Ta1 152.0(8) . .
W5 O33 W2 163.9(9) . .
W2 O34 W3 123.3(7) . .
P2 O35 W3 127.8(7) . .
P2 O35 W2 128.3(7) . .
W3 O35 W2 90.8(5) . .
W2 O36 Ta1 153.9(9) . .
W6 O37 W3 164.5(10) . .
W3 O39 W3 147.0(11) 4_575 .
W3 O40 Ta2 150.4(8) . .
Ta2 O41 La2 159.7(13) . .
Ta1 O42 Ta2 122.0(7) . .
P2 O43 Ta2 124.0(10) . .
P2 O43 Ta1 125.7(6) . 4_575
Ta2 O43 Ta1 90.3(6) . 4_575
P2 O43 Ta1 125.7(6) . .
Ta2 O43 Ta1 90.3(6) . .
Ta1 O43 Ta1 90.0(7) 4_575 .
Ta1 O44 La1 158.2(9) . .
Ta1 O45 Ta1 120.1(10) 4_575 .
P1 O57 W6 127.6 . .
P1 O57 W5 128.8 . .
W6 O57 W5 89.2 . .
O57 P1 O57 111.518(14) . 4_575
O57 P1 O22 111.3(4) . .
O57 P1 O22 111.3(4) 4_575 .
O57 P1 O11 108.9(3) . .
O57 P1 O11 108.9(3) 4_575 .
O22 P1 O11 104.7(10) . .
O35 P2 O35 112.2(10) . 4_575
O35 P2 O30 110.9(6) . .
O35 P2 O30 110.9(6) 4_575 .
O35 P2 O43 107.7(7) . .
O35 P2 O43 107.7(7) 4_575 .
O30 P2 O43 107.1(10) . .
O44 Ta1 O42 103.1(7) . .
O44 Ta1 O45 101.2(7) . .
O42 Ta1 O45 92.2(7) . .
O44 Ta1 O31 100.5(7) . .
O42 Ta1 O31 155.6(6) . .
O45 Ta1 O31 89.3(7) . .
O44 Ta1 O36 102.1(7) . .
O42 Ta1 O36 88.5(6) . .
O45 Ta1 O36 155.9(7) . .
O31 Ta1 O36 80.5(6) . .
O44 Ta1 O43 174.4(7) . .
O42 Ta1 O43 73.3(6) . .
O45 Ta1 O43 74.8(6) . .
O31 Ta1 O43 83.6(6) . .
O36 Ta1 O43 82.3(6) . .
O41 Ta2 O42 101.8(6) . 4_575
O41 Ta2 O42 101.8(6) . .
O42 Ta2 O42 91.8(8) 4_575 .
O41 Ta2 O40 100.4(7) . .
O42 Ta2 O40 157.4(6) 4_575 .
O42 Ta2 O40 87.5(6) . .
O41 Ta2 O40 100.4(7) . 4_575
O42 Ta2 O40 87.5(6) 4_575 4_575
O42 Ta2 O40 157.4(6) . 4_575
O40 Ta2 O40 84.7(8) . 4_575
O41 Ta2 O43 174.0(9) . .
O42 Ta2 O43 74.1(5) 4_575 .
O42 Ta2 O43 74.1(5) . .
O40 Ta2 O43 84.0(5) . .
O40 Ta2 O43 84.0(5) 4_575 .
O27 W1 O31 99.7(8) . .
O27 W1 O29 102.3(8) . .
O31 W1 O29 89.2(6) . .
O27 W1 O28 100.3(9) . .
O31 W1 O28 94.3(9) . .
O29 W1 O28 156.1(7) . .
O27 W1 O26 94.9(8) . .
O31 W1 O26 165.2(6) . .
O29 W1 O26 85.2(6) . .
O28 W1 O26 85.5(9) . .
O27 W1 O30 172.5(7) . .
O31 W1 O30 84.1(7) . .
O29 W1 O30 84.0(5) . .
O28 W1 O30 72.9(6) . .
O26 W1 O30 81.7(6) . .
O32 W2 O36 101.4(8) . .
O32 W2 O29 102.2(7) . .
O36 W2 O29 88.6(6) . .
O32 W2 O34 100.6(7) . .
O36 W2 O34 93.7(7) . .
O29 W2 O34 156.1(6) . .
O32 W2 O33 94.9(7) . .
O36 W2 O33 163.4(6) . .
O29 W2 O33 85.3(6) . .
O34 W2 O33 85.8(6) . .
O32 W2 O35 173.0(7) . .
O36 W2 O35 82.0(6) . .
O29 W2 O35 84.0(5) . .
O34 W2 O35 72.9(5) . .
O33 W2 O35 82.1(5) . .
O38 W3 O40 100.2(7) . .
O38 W3 O39 101.7(7) . .
O40 W3 O39 89.8(7) . .
O38 W3 O34 100.5(7) . .
O40 W3 O34 92.3(6) . .
O39 W3 O34 157.0(7) . .
O38 W3 O37 96.4(7) . .
O40 W3 O37 163.3(6) . .
O39 W3 O37 84.8(8) . .
O34 W3 O37 86.7(7) . .
O38 W3 O35 173.3(6) . .
O40 W3 O35 81.8(6) . .
O39 W3 O35 84.6(6) . .
O34 W3 O35 73.0(5) . .
O37 W3 O35 81.9(6) . .
O20 W4 O26 101.1(7) . .
O20 W4 O19 102.0(7) . .
O26 W4 O19 90.8(7) . .
O20 W4 O21 98.6(7) . .
O26 W4 O21 94.1(8) . .
O19 W4 O21 157.4(7) . .
O20 W4 O12 92.5(6) . .
O26 W4 O12 166.4(6) . .
O19 W4 O12 85.4(6) . .
O21 W4 O12 84.7(7) . .
O20 W4 O22 171.5(7) . .
O26 W4 O22 83.9(6) . .
O19 W4 O22 84.7(6) . .
O21 W4 O22 74.0(6) . .
O12 W4 O22 82.8(6) . .
O17 W5 O33 99.4(8) . .
O17 W5 O19 101.4(8) . .
O33 W5 O19 88.8(7) . .
O17 W5 O16 101.4(8) . .
O33 W5 O16 92.3(7) . .
O19 W5 O16 156.7(7) . .
O17 W5 O18 97.4(8) . .
O33 W5 O18 162.8(6) . .
O19 W5 O18 84.2(6) . .
O16 W5 O18 88.0(7) . .
O17 W5 O57 175.4(7) . .
O33 W5 O57 81.9(4) . .
O19 W5 O57 83.0(5) . .
O16 W5 O57 74.2(5) . .
O18 W5 O57 81.7(5) . .
O14 W6 O37 100.3(9) . .
O14 W6 O15 100.9(10) . .
O37 W6 O15 88.1(9) . .
O14 W6 O13 98.5(9) . .
O37 W6 O13 160.8(7) . .
O15 W6 O13 84.7(9) . .
O14 W6 O16 100.5(8) . .
O37 W6 O16 92.3(7) . .
O15 W6 O16 158.2(9) . .
O13 W6 O16 88.0(7) . .
O14 W6 O57 174.7(7) . .
O37 W6 O57 81.4(5) . .
O15 W6 O57 84.2(7) . .
O13 W6 O57 80.1(5) . .
O16 W6 O57 74.3(5) . .
O9 W7 O18 103.3(8) . .
O9 W7 O12 101.7(7) . .
O18 W7 O12 88.7(6) . .
O9 W7 O8 99.1(7) . .
O18 W7 O8 88.6(6) . .
O12 W7 O8 159.1(6) . .
O9 W7 O10 99.0(8) . .
O18 W7 O10 157.6(8) . .
O12 W7 O10 89.3(8) . .
O8 W7 O10 85.3(8) . .
O9 W7 O11 169.9(7) . .
O18 W7 O11 84.4(6) . .
O12 W7 O11 84.9(6) . .
O8 W7 O11 74.2(6) . .
O10 W7 O11 73.2(7) . .
O7 W8 O13 104.6(8) . .
O7 W8 O13 104.6(8) . 4_575
O13 W8 O13 84.6(10) . 4_575
O7 W8 O8 99.5(7) . .
O13 W8 O8 89.5(7) . .
O13 W8 O8 155.8(7) 4_575 .
O7 W8 O8 99.5(8) . 4_575
O13 W8 O8 155.8(7) . 4_575
O13 W8 O8 89.5(7) 4_575 4_575
O8 W8 O8 86.4(9) . 4_575
O7 W8 O11 170.0(10) . .
O13 W8 O11 82.6(6) . .
O13 W8 O11 82.6(6) 4_575 .
O8 W8 O11 73.4(5) . .
O8 W8 O11 73.4(5) 4_575 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O44 2.433(15) .
La1 O15W 2.4887(15) .
La1 O11W 2.4950(14) .
La1 O20 2.533(15) 3_767
La1 O9W 2.5394(12) .
La1 O10W 2.5721(13) .
La1 O14W 2.5878(12) .
La1 O13W 2.6100(13) .
La1 O12W 2.6123(12) .
La2 O41 2.39(2) .
La2 O4W 2.5451(17) .
La2 O4W 2.5451(17) 4_575
La2 O7W 2.5701(16) .
La2 O7W 2.5701(16) 4_575
La2 O6W 2.576(2) .
La2 O5W 2.6032 .
La2 O5W 2.6032 4_575
La2 O8W 2.6713(18) .
O7 W8 1.74(2) .
O8 W7 1.948(14) .
O8 W8 1.958(14) .
O9 W7 1.734(17) .
O10 W7 1.959(12) .
O10 W7 1.959(12) 4_575
O11 P1 1.56(2) .
O11 W7 2.382(14) .
O11 W7 2.382(14) 4_575
O11 W8 2.412(18) .
O12 W7 1.894(14) .
O12 W4 1.979(14) .
O13 W6 1.901(17) .
O13 W8 1.904(16) .
O14 W6 1.69(2) .
O15 W6 1.897(6) .
O15 W6 1.897(6) 4_575
O16 W6 1.905(16) .
O16 W5 1.912(16) .
O17 W5 1.735(16) .
O18 W7 1.879(16) .
O18 W5 1.960(17) .
O19 W4 1.884(15) .
O19 W5 1.904(15) .
O20 W4 1.735(14) .
O20 La1 2.534(15) 3_767
O21 W4 1.925(10) 4_575
O21 W4 1.925(10) .
O22 P1 1.538(18) .
O22 W4 2.334(13) 4_575
O22 W4 2.334(13) .
O26 W4 1.824(15) .
O26 W1 1.989(15) .
O27 W1 1.728(15) .
O28 W1 1.921(10) .
O28 W1 1.921(10) 4_575
O29 W1 1.894(14) .
O29 W2 1.904(14) .
O30 P2 1.537(19) .
O30 W1 2.370(13) .
O30 W1 2.370(13) 4_575
O31 W1 1.837(15) .
O31 Ta1 2.023(15) .
O32 W2 1.722(17) .
O33 W5 1.861(14) .
O33 W2 1.950(14) .
O34 W2 1.915(15) .
O34 W3 1.916(16) .
O35 P2 1.514(13) .
O35 W3 2.365(13) .
O35 W2 2.371(13) .
O36 W2 1.827(17) .
O36 Ta1 2.030(16) .
O37 W6 1.863(17) .
O37 W3 1.933(17) .
O38 W3 1.716(14) .
O39 W3 1.909(6) 4_575
O39 W3 1.909(6) .
O40 W3 1.867(15) .
O40 Ta2 1.994(14) .
O41 Ta2 1.79(2) .
O42 Ta1 1.930(13) .
O42 Ta2 1.936(13) .
O43 P2 1.60(2) .
O43 Ta2 2.37(2) .
O43 Ta1 2.404(14) 4_575
O43 Ta1 2.404(14) .
O44 Ta1 1.749(16) .
O45 Ta1 1.961(10) 4_575
O45 Ta1 1.961(10) .
O57 P1 1.5155 .
O57 W6 2.3728 .
O57 W5 2.3760 .
P1 O57 1.5155 4_575
P2 O35 1.514(13) 4_575
Ta2 O42 1.936(14) 4_575
Ta2 O40 1.994(14) 4_575
W8 O13 1.904(16) 4_575
W8 O8 1.958(15) 4_575
