#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:45:21 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/21/7042142.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_7042142
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 O100 P2 Pr3 Ta3 W15'
_chemical_formula_weight         5461.87
_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                 108.847(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.2949(15)
_cell_length_b                   19.000(2)
_cell_length_c                   16.6852(18)
_cell_measurement_reflns_used    3443
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.391
_cell_measurement_theta_min      2.807
_cell_volume                     4288.8(8)
_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      296(2)
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_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  0.0591
_diffrn_reflns_av_unetI/netI     0.0839
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18057
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        25.098
_diffrn_reflns_theta_max         25.098
_diffrn_reflns_theta_min         1.290
_exptl_absorpt_coefficient_mu    25.668
_exptl_absorpt_correction_T_max  0.5131
_exptl_absorpt_correction_T_min  0.0346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2016/2 (Bruker, 2016) was used for absorption correction. R(int) was 0.1223 before and 0.0684 after correction. The Ratio of minimum to maximum transmission is 0.0674. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    4.230
_exptl_crystal_description       plate
_exptl_crystal_F_000             4824
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.030
_refine_diff_density_max         4.774
_refine_diff_density_min         -4.095
_refine_diff_density_rms         0.852
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         7634
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0580
_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)+(0.1126P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1567
_refine_ls_wR_factor_ref         0.1888
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5569
_reflns_number_total             7634
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00091j2.cif
_cod_data_source_block           111222
_cod_depositor_comments
'Adding full bibliography for 7042142--7042145.cif.'
_cod_original_cell_volume        4288.7(8)
_cod_database_code               7042142
_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   0.035
_shelx_estimated_absorpt_t_max   0.513
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
O1 O 0.9736(10) 0.4005(7) 0.2512(9) 0.028(3) Uani 1 1 d . . .
O2 O 0.6200(11) 0.3610(7) 0.2097(9) 0.030(3) Uani 1 1 d . . .
O3 O 0.7585(11) 0.4312(8) 0.3314(10) 0.039(4) Uani 1 1 d . . .
O4 O 0.9594(15) 0.2500 0.2511(13) 0.028(5) Uani 1 2 d S TU P
O5 O 0.9006(12) 0.5232(8) 0.3041(11) 0.045(4) Uani 1 1 d . U .
O6 O 1.1400(14) 0.2500 0.2595(13) 0.025(4) Uani 1 2 d S T P
O7 O 0.9552(11) 0.4015(7) 0.4016(9) 0.030(3) Uani 1 1 d . . .
O8 O 1.1684(11) 0.3941(7) 0.2570(10) 0.033(4) Uani 1 1 d . . .
O9 O 0.7774(11) 0.3192(7) 0.4329(10) 0.032(3) Uani 1 1 d . U .
O10 O 1.1006(11) 0.3336(7) 0.3732(10) 0.033(4) Uani 1 1 d . . .
O11 O 1.0240(11) 0.3274(7) 0.1359(10) 0.032(3) Uani 1 1 d . U .
O12 O 1.1339(12) 0.3958(8) 0.5316(10) 0.038(4) Uani 1 1 d . . .
O13 O 1.1125(15) 0.2500 0.4980(15) 0.033(5) Uani 1 2 d S TU P
O14 O 0.8339(12) 0.3357(8) -0.0850(11) 0.038(4) Uani 1 1 d . . .
O15 O 0.7410(12) 0.5231(8) 0.0400(11) 0.041(4) Uani 1 1 d . U .
O16 O 0.7848(11) 0.4395(7) 0.1788(9) 0.030(3) Uani 1 1 d . . .
O17 O 0.7022(10) 0.3154(7) 0.0827(8) 0.023(3) Uani 1 1 d . . .
O18 O 0.8456(13) 0.2500 0.0583(12) 0.021(4) Uani 1 2 d S T P
O19 O 0.5964(13) 0.3784(9) 0.3643(12) 0.049(5) Uani 1 1 d . . .
O20 O 0.6509(16) 0.2500 0.3090(15) 0.035(5) Uani 1 2 d S TU P
O21 O 0.9383(14) 0.2500 0.3968(13) 0.027(4) Uani 1 2 d S TU P
O22 O 0.6735(12) 0.2500 -0.0541(11) 0.017(4) Uani 1 2 d S T P
O24 O 0.6011(11) 0.4315(7) 0.0664(10) 0.033(4) Uani 1 1 d . . .
O25 O 0.5368(15) 0.2500 0.1172(15) 0.034(5) Uani 1 2 d S T P
O26 O 0.4375(11) 0.3790(8) 0.0933(11) 0.039(4) Uani 1 1 d . . .
O29 O 0.6884(11) 0.4016(8) -0.2310(11) 0.038(4) Uani 1 1 d . U .
O30 O 0.6874(10) 0.4035(7) -0.0574(10) 0.031(3) Uani 1 1 d . U .
O31 O 0.7079(17) 0.2500 -0.2025(16) 0.040(5) Uani 1 2 d S TU P
O33 O 0.9608(12) 0.3217(8) 0.5302(11) 0.038(4) Uani 1 1 d . U .
O34 O 0.9886(14) 0.2500 -0.0009(13) 0.029(5) Uani 1 2 d S T P
O35 O 0.5484(11) 0.3233(7) -0.1741(10) 0.034(3) Uani 1 1 d . U .
O36 O 0.8632(11) 0.4012(7) 0.0619(10) 0.032(3) Uani 1 1 d . U .
O41 O 0.5063(10) 0.3197(7) -0.0228(9) 0.028(3) Uani 1 1 d . . .
O42 O 1.0143(12) 0.3958(9) -0.0105(12) 0.050(5) Uani 1 1 d . . .
O43 O 0.8153(10) 0.3153(7) 0.2774(9) 0.031(3) Uani 1 1 d . . .
O44 O 0.823(2) 0.2500 0.5916(19) 0.058(7) Uani 1 2 d S TU P
O66 O 0.3723(15) 0.2500 -0.1706(13) 0.029(5) Uani 1 2 d S T P
O1W O 0.56312(2) 0.52081(2) -0.22110(2) 0.085(8) Uani 1 1 d . . .
H1WA H 0.5301 0.4828 -0.2285 0.127 Uiso 1 1 d R U .
H1WB H 0.5247 0.5548 -0.2428 0.127 Uiso 1 1 d R U .
O2W O 0.79043(2) 0.52764(2) -0.13960(2) 0.087(7) Uani 1 1 d R U .
H2WA H 0.8521 0.5295 -0.1318 0.131 Uiso 1 1 d R U .
H2WB H 0.7783 0.4933 -0.1118 0.131 Uiso 1 1 d R U .
O3W O 0.61889(2) 0.63315(2) -0.31499(2) 0.081(8) Uani 1 1 d R . .
H3WA H 0.6522 0.6604 -0.2757 0.121 Uiso 1 1 d R U .
H3WB H 0.5603 0.6298 -0.3133 0.121 Uiso 1 1 d R U .
O4W O 0.52710(2) 0.49904(2) -0.40642(2) 0.103(9) Uani 1 1 d R . .
H4WA H 0.5151 0.5348 -0.4388 0.154 Uiso 1 1 d R U .
H4WB H 0.4836 0.4959 -0.3818 0.154 Uiso 1 1 d R U .
O5W O 0.72368(2) 0.56564(2) -0.42537(2) 0.055(5) Uani 1 1 d R U .
H5WA H 0.7467 0.6070 -0.4138 0.083 Uiso 1 1 d R U .
H5WB H 0.6686 0.5674 -0.4650 0.083 Uiso 1 1 d R U .
O6W O 0.69201(2) 0.42046(2) -0.41339(2) 0.102(9) Uani 1 1 d R . .
H6WA H 0.6590 0.3845 -0.4083 0.153 Uiso 1 1 d R U .
H6WB H 0.7506 0.4081 -0.4091 0.153 Uiso 1 1 d R U .
O7W O 0.86359(2) 0.46083(2) -0.28899(2) 0.082(7) Uani 1 1 d R . .
H7WA H 0.8575 0.4360 -0.3328 0.123 Uiso 1 1 d R U .
H7WB H 0.8852 0.4353 -0.2450 0.123 Uiso 1 1 d R U .
O8W O 0.24993(2) 0.32019(2) -0.05728(2) 0.149(14) Uani 1 1 d R U .
H8WA H 0.2897 0.2959 -0.0182 0.224 Uiso 1 1 d R U .
H8WB H 0.1991 0.3302 -0.0437 0.224 Uiso 1 1 d R U .
O9W O 0.25817(2) 0.37907(2) -0.21755(2) 0.116(10) Uani 1 1 d R U .
H9WA H 0.2612 0.3834 -0.2674 0.173 Uiso 1 1 d R U .
H9WB H 0.3148 0.3870 -0.1817 0.173 Uiso 1 1 d R U .
O11W O 0.05913(2) 0.32611(2) -0.29104(2) 0.071(6) Uani 1 1 d R . .
H11A H 0.0048 0.3042 -0.3006 0.106 Uiso 1 1 d R U .
H11B H 0.0694 0.3340 -0.3376 0.106 Uiso 1 1 d R U .
O12W O 0.23641(2) 0.25000(2) -0.33593(2) 0.055(7) Uani 1 2 d R TU P
H12A H 0.2986 0.2500 -0.3261 0.083 Uiso 1 2 d R U P
H12B H 0.2114 0.2865 -0.3641 0.083 Uiso 0.5 1 d R U P
O13W O 0.05104(2) 0.25000(2) -0.15137(2) 0.25(3) Uani 1 2 d DR TU P
H13A H 0.0002 0.2500 -0.1954 0.369 Uiso 1 2 d R U P
H13B H 0.0505 0.2865 -0.1221 0.369 Uiso 0.5 1 d R U P
O15W O 0.44062(2) 0.44671(2) 0.85493(2) 0.070(6) Uani 1 1 d R . .
O16W O 0.34249(2) 0.46661(2) 0.59338(2) 0.081(7) Uani 1 1 d R . .
O17W O 0.39193(2) 0.34332(2) 0.66777(2) 0.082(7) Uani 1 1 d R . .
O18W O -0.00428(2) 0.49057(2) 0.86965(2) 0.130(11) Uani 1 1 d R U .
O19W O 0.60093(2) 0.75000(2) 0.78623(2) 0.136(16) Uani 1 2 d R TU P
O20W O 0.78925(2) 0.75000(2) 0.92409(2) 0.10(2) Uani 0.5 2 d R TU P
O22W O 0.32318(2) 0.25000(2) 0.41937(2) 0.17(2) Uani 1 2 d R TU P
O23W O 0.85658(2) 0.45611(2) 0.54058(2) 0.075(7) Uani 1 1 d R . .
P1 P 0.73360(2) 0.25000(2) 0.04575(2) 0.0239(17) Uani 1 2 d R T P
P2 P 0.87976(2) 0.25000(2) 0.29658(2) 0.0241(17) Uani 1 2 d R T P
Pr1 Pr 0.69792(2) 0.51079(2) -0.29467(2) 0.0357(3) Uani 1 1 d R . .
Pr2 Pr 0.20094(2) 0.25000(2) -0.19486(2) 0.0369(4) Uani 1 2 d DR T P
Ta1 Ta 0.68748(2) 0.33963(2) -0.15196(2) 0.0291(2) Uani 1 1 d R . .
Ta2 Ta 0.50112(2) 0.25000(2) -0.11440(2) 0.0272(3) Uani 1 2 d R T P
W1 W 1.05091(2) 0.34009(2) 0.46599(2) 0.0304(2) Uani 1 1 d R . .
W2 W 0.86115(2) 0.25000(2) 0.50055(2) 0.0349(3) Uani 1 2 d R T P
W3 W 0.68309(2) 0.34699(2) 0.32373(2) 0.0334(3) Uani 1 1 d R . .
W5 W 1.07387(2) 0.33775(2) 0.25111(2) 0.0273(2) Uani 1 1 d R . .
W6 W 0.93559(2) 0.33876(2) 0.01672(2) 0.0308(2) Uani 1 1 d R . .
W7 W 0.54558(2) 0.34615(2) 0.08981(2) 0.0296(2) Uani 1 1 d R . .
W8 W 0.73310(2) 0.43487(2) 0.05440(2) 0.0299(2) Uani 1 1 d R . .
W9 W 0.86915(2) 0.43578(2) 0.28977(2) 0.0308(3) Uani 1 1 d R . .
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'
Pr Pr -0.2180 2.8214 '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'
P P 0.1023 0.0942 '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'
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
W5 O1 W9 154.3(8) . .
W3 O2 W7 163.1(8) . .
W3 O3 W9 121.7(8) . .
P2 O4 W5 128.5(6) . 4_565
P2 O4 W5 128.5(6) . .
W5 O4 W5 91.1(7) 4_565 .
W5 O6 W5 122.7(10) 4_565 .
W1 O7 W9 150.3(8) . .
W5 O8 Pr1 167.3(8) . 3_765
W2 O9 W3 149.1(8) . .
W1 O10 W5 148.0(8) . .
W5 O11 W6 160.3(9) . .
W1 O13 W1 126.1(11) 4_565 .
W6 O14 Ta1 150.6(9) . .
W9 O16 W8 162.3(9) . .
P1 O17 W7 129.4(8) . .
P1 O17 W8 126.9(8) . .
W7 O17 W8 90.8(4) . .
P1 O18 W6 126.9(6) . .
P1 O18 W6 126.9(6) . 4_565
W6 O18 W6 91.4(6) . 4_565
W3 O20 W3 152.8(13) 4_565 .
P2 O21 W2 124.0(10) . .
P2 O21 W1 123.2(7) . .
W2 O21 W1 92.8(6) . .
P2 O21 W1 123.2(7) . 4_565
W2 O21 W1 92.8(6) . 4_565
W1 O21 W1 92.1(7) . 4_565
P1 O22 Ta2 125.5(10) . .
P1 O22 Ta1 124.6(5) . .
Ta2 O22 Ta1 90.8(5) . .
P1 O22 Ta1 124.6(5) . 4_565
Ta2 O22 Ta1 90.8(5) . 4_565
Ta1 O22 Ta1 89.8(6) . 4_565
W7 O24 W8 121.9(7) . .
W7 O25 W7 148.7(13) 4_565 .
Ta1 O29 Pr1 159.5(9) . .
W8 O30 Ta1 153.9(8) . .
Ta1 O31 Ta1 120.3(12) . 4_565
W2 O33 W1 123.5(8) . .
W6 O34 W6 124.0(10) . 4_565
Ta1 O35 Ta2 121.5(8) . .
W6 O36 W8 145.5(8) . .
W7 O41 Ta2 151.4(8) . .
P2 O43 W3 129.9(9) . .
P2 O43 W9 127.2(8) . .
W3 O43 W9 89.8(5) . .
Ta2 O66 Pr2 159.4(12) . .
O17 P1 O17 109.9(10) 4_565 .
O17 P1 O18 112.0(6) 4_565 .
O17 P1 O18 112.0(6) . .
O17 P1 O22 106.9(6) 4_565 .
O17 P1 O22 106.9(6) . .
O18 P1 O22 108.9(9) . .
O43 P2 O43 109.8(11) . 4_565
O43 P2 O4 112.8(7) . .
O43 P2 O4 112.8(7) 4_565 .
O43 P2 O21 107.2(7) . .
O43 P2 O21 107.2(7) 4_565 .
O4 P2 O21 106.8(10) . .
O29 Pr1 O2W 74.7(4) . .
O29 Pr1 O7W 80.9(4) . .
O2W Pr1 O7W 80.5 . .
O29 Pr1 O5W 142.3(4) . .
O2W Pr1 O5W 130.9 . .
O7W Pr1 O5W 78.0 . .
O29 Pr1 O8 131.3(5) . 3_765
O2W Pr1 O8 63.6(3) . 3_765
O7W Pr1 O8 68.8(3) . 3_765
O5W Pr1 O8 67.5(3) . 3_765
O29 Pr1 O4W 94.1(4) . .
O2W Pr1 O4W 145.2 . .
O7W Pr1 O4W 131.1 . .
O5W Pr1 O4W 77.3 . .
O8 Pr1 O4W 134.6(3) 3_765 .
O29 Pr1 O3W 140.6(4) . .
O2W Pr1 O3W 94.8 . .
O7W Pr1 O3W 135.7 . .
O5W Pr1 O3W 72.2 . .
O8 Pr1 O3W 69.7(3) 3_765 .
O4W Pr1 O3W 72.9 . .
O29 Pr1 O6W 76.7(4) . .
O2W Pr1 O6W 138.0 . .
O7W Pr1 O6W 65.2 . .
O5W Pr1 O6W 66.2 . .
O8 Pr1 O6W 119.4(3) 3_765 .
O4W Pr1 O6W 66.4 . .
O3W Pr1 O6W 126.4 . .
O29 Pr1 O1W 72.1(4) . .
O2W Pr1 O1W 74.3 . .
O7W Pr1 O1W 146.9 . .
O5W Pr1 O1W 135.0 . .
O8 Pr1 O1W 116.1(3) 3_765 .
O4W Pr1 O1W 70.9 . .
O3W Pr1 O1W 68.5 . .
O6W Pr1 O1W 124.1 . .
O66 Pr2 O13W 154.5(5) . .
O66 Pr2 O8W 83.0(4) . .
O13W Pr2 O8W 75.4 . .
O66 Pr2 O8W 83.0(4) . 4_565
O13W Pr2 O8W 75.4 . 4_565
O8W Pr2 O8W 63.1 . 4_565
O66 Pr2 O12W 69.7(5) . .
O13W Pr2 O12W 135.8 . .
O8W Pr2 O12W 138.5 . .
O8W Pr2 O12W 138.5 4_565 .
O66 Pr2 O11W 132.2(3) . .
O13W Pr2 O11W 66.6 . .
O8W Pr2 O11W 101.5 . .
O8W Pr2 O11W 141.7 4_565 .
O12W Pr2 O11W 77.2 . .
O66 Pr2 O11W 132.2(3) . 4_565
O13W Pr2 O11W 66.6 . 4_565
O8W Pr2 O11W 141.7 . 4_565
O8W Pr2 O11W 101.5 4_565 4_565
O12W Pr2 O11W 77.2 . 4_565
O11W Pr2 O11W 68.1 . 4_565
O66 Pr2 O9W 70.85(10) . .
O13W Pr2 O9W 112.2 . .
O8W Pr2 O9W 68.7 . .
O8W Pr2 O9W 127.2 4_565 .
O12W Pr2 O9W 73.0 . .
O11W Pr2 O9W 67.0 . .
O11W Pr2 O9W 130.2 4_565 .
O66 Pr2 O9W 70.85(10) . 4_565
O13W Pr2 O9W 112.2 . 4_565
O8W Pr2 O9W 127.2 . 4_565
O8W Pr2 O9W 68.7 4_565 4_565
O12W Pr2 O9W 73.0 . 4_565
O11W Pr2 O9W 130.2 . 4_565
O11W Pr2 O9W 67.0 4_565 4_565
O9W Pr2 O9W 135.4 . 4_565
O29 Ta1 O35 102.7(7) . .
O29 Ta1 O31 102.6(8) . .
O35 Ta1 O31 93.7(8) . .
O29 Ta1 O30 100.8(6) . .
O35 Ta1 O30 89.1(6) . .
O31 Ta1 O30 155.1(8) . .
O29 Ta1 O14 100.4(7) . .
O35 Ta1 O14 156.3(7) . .
O31 Ta1 O14 86.2(8) . .
O30 Ta1 O14 81.4(6) . .
O29 Ta1 O22 174.7(6) . .
O35 Ta1 O22 73.1(6) . .
O31 Ta1 O22 74.6(7) . .
O30 Ta1 O22 82.7(5) . .
O14 Ta1 O22 84.1(6) . .
O66 Ta2 O35 101.6(7) . .
O66 Ta2 O35 101.6(7) . 4_565
O35 Ta2 O35 90.8(9) . 4_565
O66 Ta2 O41 100.3(6) . 4_565
O35 Ta2 O41 157.6(6) . 4_565
O35 Ta2 O41 89.1(6) 4_565 4_565
O66 Ta2 O41 100.3(6) . .
O35 Ta2 O41 89.1(6) . .
O35 Ta2 O41 157.6(6) 4_565 .
O41 Ta2 O41 82.6(8) 4_565 .
O66 Ta2 O22 174.0(8) . .
O35 Ta2 O22 74.3(5) . .
O35 Ta2 O22 74.3(5) 4_565 .
O41 Ta2 O22 84.1(5) 4_565 .
O41 Ta2 O22 84.1(5) . .
O12 W1 O7 102.3(6) . .
O12 W1 O10 101.4(7) . .
O7 W1 O10 88.3(6) . .
O12 W1 O13 102.3(8) . .
O7 W1 O13 155.3(7) . .
O10 W1 O13 84.9(8) . .
O12 W1 O33 101.8(7) . .
O7 W1 O33 86.3(7) . .
O10 W1 O33 156.8(7) . .
O13 W1 O33 90.7(8) . .
O12 W1 O21 169.6(7) . .
O7 W1 O21 85.1(5) . .
O10 W1 O21 86.0(7) . .
O13 W1 O21 70.8(6) . .
O33 W1 O21 71.0(7) . .
O44 W2 O9 101.7(8) . .
O44 W2 O9 101.7(8) . 4_565
O9 W2 O9 88.3(9) . 4_565
O44 W2 O33 100.7(8) . 4_565
O9 W2 O33 157.5(7) . 4_565
O9 W2 O33 86.2(7) 4_565 4_565
O44 W2 O33 100.7(8) . .
O9 W2 O33 86.2(7) . .
O9 W2 O33 157.5(7) 4_565 .
O33 W2 O33 90.6(10) 4_565 .
O44 W2 O21 170.3(10) . .
O9 W2 O21 85.2(6) . .
O9 W2 O21 85.2(6) 4_565 .
O33 W2 O21 72.6(6) 4_565 .
O33 W2 O21 72.6(6) . .
O19 W3 O2 100.6(8) . .
O19 W3 O20 102.4(9) . .
O2 W3 O20 89.4(8) . .
O19 W3 O3 98.5(8) . .
O2 W3 O3 91.5(7) . .
O20 W3 O3 158.6(8) . .
O19 W3 O9 95.5(8) . .
O2 W3 O9 163.8(6) . .
O20 W3 O9 85.6(8) . .
O3 W3 O9 87.7(6) . .
O19 W3 O43 172.7(7) . .
O2 W3 O43 82.8(6) . .
O20 W3 O43 84.0(7) . .
O3 W3 O43 74.9(6) . .
O9 W3 O43 81.4(6) . .
O8 W5 O11 99.2(7) . .
O8 W5 O1 101.2(6) . .
O11 W5 O1 91.8(6) . .
O8 W5 O6 100.4(7) . .
O11 W5 O6 89.9(8) . .
O1 W5 O6 157.8(7) . .
O8 W5 O10 94.6(7) . .
O11 W5 O10 166.1(6) . .
O1 W5 O10 85.2(6) . .
O6 W5 O10 87.9(7) . .
O8 W5 O4 172.8(6) . .
O11 W5 O4 83.6(7) . .
O1 W5 O4 85.3(6) . .
O6 W5 O4 72.9(6) . .
O10 W5 O4 82.6(7) . .
O42 W6 O14 99.5(8) . .
O42 W6 O36 101.4(8) . .
O14 W6 O36 90.9(7) . .
O42 W6 O34 100.9(8) . .
O14 W6 O34 93.7(8) . .
O36 W6 O34 156.1(7) . .
O42 W6 O11 94.2(7) . .
O14 W6 O11 166.3(6) . .
O36 W6 O11 85.6(6) . .
O34 W6 O11 84.4(7) . .
O42 W6 O18 172.4(7) . .
O14 W6 O18 84.5(7) . .
O36 W6 O18 84.9(5) . .
O34 W6 O18 72.2(6) . .
O11 W6 O18 81.9(6) . .
O26 W7 O41 98.9(7) . .
O26 W7 O25 102.5(8) . .
O41 W7 O25 87.8(8) . .
O26 W7 O24 98.0(7) . .
O41 W7 O24 91.9(6) . .
O25 W7 O24 159.3(7) . .
O26 W7 O2 96.5(7) . .
O41 W7 O2 164.5(6) . .
O25 W7 O2 87.1(8) . .
O24 W7 O2 87.8(6) . .
O26 W7 O17 172.6(6) . .
O41 W7 O17 82.1(5) . .
O25 W7 O17 84.9(7) . .
O24 W7 O17 74.6(5) . .
O2 W7 O17 82.9(5) . .
O15 W8 O30 101.1(7) . .
O15 W8 O36 103.2(7) . .
O30 W8 O36 88.8(6) . .
O15 W8 O24 99.0(7) . .
O30 W8 O24 93.1(6) . .
O36 W8 O24 156.9(6) . .
O15 W8 O16 94.9(7) . .
O30 W8 O16 163.9(5) . .
O36 W8 O16 85.4(6) . .
O24 W8 O16 86.6(6) . .
O15 W8 O17 171.4(6) . .
O30 W8 O17 82.3(5) . .
O36 W8 O17 84.7(5) . .
O24 W8 O17 72.7(5) . .
O16 W8 O17 82.2(5) . .
O5 W9 O16 99.2(7) . .
O5 W9 O3 101.7(8) . .
O16 W9 O3 91.0(7) . .
O5 W9 O1 100.7(7) . .
O16 W9 O1 90.2(6) . .
O3 W9 O1 157.1(6) . .
O5 W9 O7 97.6(7) . .
O16 W9 O7 163.0(5) . .
O3 W9 O7 88.7(6) . .
O1 W9 O7 83.6(6) . .
O5 W9 O43 174.7(7) . .
O16 W9 O43 82.1(6) . .
O3 W9 O43 73.2(6) . .
O1 W9 O43 84.3(5) . .
O7 W9 O43 81.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 W5 1.865(14) .
O1 W9 1.927(14) .
O2 W3 1.842(15) .
O2 W7 1.959(15) .
O3 W3 1.911(17) .
O3 W9 1.924(16) .
O4 P2 1.56(2) .
O4 W5 2.336(14) 4_565
O4 W5 2.336(14) .
O5 W9 1.718(15) .
O6 W5 1.899(9) 4_565
O6 W5 1.899(9) .
O7 W1 1.854(14) .
O7 W9 1.985(14) .
O8 W5 1.701(14) .
O8 Pr1 2.558(14) 3_765
O9 W2 1.888(15) .
O9 W3 1.956(15) .
O10 W1 1.904(16) .
O10 W5 1.949(16) .
O11 W5 1.832(16) .
O11 W6 1.993(16) .
O12 W1 1.699(16) .
O13 W1 1.920(9) 4_565
O13 W1 1.920(9) .
O14 W6 1.844(16) .
O14 Ta1 2.031(16) .
O15 W8 1.703(15) .
O16 W9 1.856(14) .
O16 W8 1.967(14) .
O17 P1 1.517(12) .
O17 W7 2.354(13) .
O17 W8 2.389(13) .
O18 P1 1.546(18) .
O18 W6 2.357(13) .
O18 W6 2.357(13) 4_565
O19 W3 1.701(16) .
O20 W3 1.896(5) 4_565
O20 W3 1.896(5) .
O21 P2 1.61(2) .
O21 W2 2.33(2) .
O21 W1 2.378(14) .
O21 W1 2.378(14) 4_565
O22 P1 1.608(17) .
O22 Ta2 2.342(17) .
O22 Ta1 2.412(13) .
O22 Ta1 2.412(13) 4_565
O24 W7 1.900(15) .
O24 W8 1.962(15) .
O25 W7 1.897(6) 4_565
O25 W7 1.897(6) .
O26 W7 1.685(15) .
O29 Ta1 1.771(16) .
O29 Pr1 2.355(15) .
O30 W8 1.863(15) .
O30 Ta1 1.992(15) .
O31 Ta1 1.963(12) .
O31 Ta1 1.963(12) 4_565
O33 W2 1.918(15) .
O33 W1 1.954(15) .
O34 W6 1.910(9) .
O34 W6 1.910(9) 4_565
O35 Ta1 1.927(15) .
O35 Ta2 1.954(15) .
O36 W6 1.885(15) .
O36 W8 1.932(15) .
O41 W7 1.848(15) .
O41 Ta2 2.006(15) .
O42 W6 1.725(15) .
O43 P2 1.517(14) .
O43 W3 2.340(15) .
O43 W9 2.403(14) .
O44 W2 1.77(3) .
O66 Ta2 1.78(2) .
O66 Pr2 2.35(2) .
O1W Pr1 2.6047 .
O2W Pr1 2.5170 .
O3W Pr1 2.5590 .
O4W Pr1 2.5588 .
O5W Pr1 2.5488 .
O6W Pr1 2.6016 .
O7W Pr1 2.5246 .
O8W Pr2 2.5494 .
O9W Pr2 2.6507 .
O11W Pr2 2.5834 .
O12W Pr2 2.5629 .
O13W Pr2 2.4744 .
P1 O17 1.517(12) 4_565
P2 O43 1.517(14) 4_565
Pr1 O8 2.558(14) 3_765
Pr2 O8W 2.5495 4_565
Pr2 O11W 2.5834 4_565
Pr2 O9W 2.6507 4_565
Ta2 O35 1.955(15) 4_565
Ta2 O41 2.006(15) 4_565
W2 O9 1.888(15) 4_565
W2 O33 1.918(15) 4_565
