#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/33/2013388.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2013388
loop_
_publ_author_name
'Gaunt, Andrew J.'
'May, Iain'
'Collison, David'
'Helliwell, Madeleine'
_publ_section_title
;A novel zirconium polyoxometalate compound:
 (NH₄)₉[Zr₂(μ-OH)(H₂O)₂(AsOH)₂(AsW₇O₂₈)(AsW₁₀O₃₆)]·26H₂O
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i65
_journal_page_last               i66
_journal_paper_doi               10.1107/S0108270103006358
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac
'(N H4)9 [Zr2 (O H) (H2 O)2 (As O H)2 (As W7 O28) (As W10 O36)], 26H2 O'
_chemical_formula_moiety         'H95 As4 N9 O95 W17 Zr2'
_chemical_formula_sum            'As4 H95 N9 O95 W17 Zr2'
_chemical_formula_weight         5349.42
_chemical_name_systematic        ?
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.228(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.200(4)
_cell_length_b                   15.993(2)
_cell_length_c                   18.415(2)
_cell_measurement_reflns_used    5091
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.34
_cell_volume                     9150.3(19)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XSHELL in SHELXTL (Bruker, 2001)'
_computing_publication_material
'XP in SHELXTL and DIAMOND (Crystal Impact, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'Bruker SMART Platform CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39187
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    23.052
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.4372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.883
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             9552
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.364
_refine_diff_density_min         -1.946
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         10914
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0359P)²+201.8467P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0846
_reflns_number_gt                8830
_reflns_number_total             10914
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bc1008.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9150(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'H95 As4 N9 O95 W17 Zr2'
_cod_database_code               2013388
_cod_database_fobs_code          2013388
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
As1 0.11162(4) 0.0000 0.32177(7) 0.0077(2) Uani d S 1 . . As
As2 0.25942(4) 0.0000 0.16804(7) 0.0092(3) Uani d S 1 . . As
As3 0.21886(3) 0.16991(6) 0.00408(6) 0.0159(2) Uani d . 1 . . As
N1 0.5531(12) 0.136(2) 0.137(2) 0.096(11) Uiso d P 0.50 . . N
N2 0.5605(15) 0.0000 0.241(3) 0.198(18) Uiso d S 1 . . N
N3 0.4782(7) 0.1535(13) 0.2932(11) 0.109(6) Uiso d . 1 . . N
N4 0.5048(12) 0.147(2) 0.451(2) 0.100(12) Uiso d P 0.50 . . N
N5 0.4573(13) 0.0000 0.993(2) 0.168(15) Uiso d S 1 . . N
N6 0.1133(15) 0.5000 0.470(3) 0.202(19) Uiso d S 1 . . N
N7 0.1509(7) 0.4160(14) 0.1328(12) 0.120(7) Uiso d . 1 . . N
O1 0.2259(3) 0.0000 0.3336(5) 0.0103(18) Uani d S 1 . . O
O2 0.2250(2) 0.2556(4) 0.3843(4) 0.0171(15) Uani d . 1 . . O
O3 0.1947(2) 0.1031(4) 0.4181(4) 0.0120(13) Uani d . 1 . . O
O4 0.1498(2) 0.1864(4) 0.3020(4) 0.0131(14) Uani d . 1 . . O
O5 0.2783(2) 0.1358(4) 0.3695(4) 0.0108(13) Uani d . 1 . . O
O6 0.2273(2) 0.2218(4) 0.2438(4) 0.0123(13) Uani d . 1 . . O
O7 0.1772(2) 0.0814(4) 0.2135(4) 0.0129(14) Uani d . 1 . . O
O8 0.3260(3) 0.0000 0.0108(5) 0.016(2) Uani d S 1 . . O
O9 0.3369(2) 0.1720(4) 0.0006(4) 0.0200(16) Uani d . 1 . . O
O10 0.3755(2) 0.0831(4) 0.1288(4) 0.0162(15) Uani d . 1 . . O
O11 0.4346(3) 0.0000 0.2439(6) 0.020(2) Uani d S 1 . . O
O12 0.2598(2) 0.0940(4) 0.0117(4) 0.0165(15) Uani d . 1 . . O
O13 0.3095(3) 0.0000 0.1391(5) 0.0123(19) Uani d S 1 . . O
O14 0.3051(2) 0.1779(4) 0.1273(4) 0.0136(14) Uani d . 1 . . O
O15 0.3625(2) 0.0824(4) 0.2674(4) 0.0120(13) Uani d . 1 . . O
O16 0.2207(2) 0.1771(4) 0.1017(4) 0.0146(14) Uani d . 1 . . O
O17 0.2729(2) 0.0858(4) 0.2305(4) 0.0120(13) Uani d . 1 . . O
O18 0.2673(2) 0.3228(4) 0.1625(4) 0.0174(15) Uani d . 1 . . O
O19 0.3269(3) 0.0000 0.3562(5) 0.0111(19) Uani d S 1 . . O
O20 0.3144(2) 0.2178(4) 0.2727(4) 0.0111(13) Uani d . 1 . . O
O21 0.3651(2) 0.1536(4) 0.4058(4) 0.0152(14) Uani d . 1 . . O
O22 0.1735(3) 0.1031(5) -0.0219(4) 0.0292(18) Uani d . 1 . . O
O23 0.1459(3) 0.0000 0.0745(5) 0.016(2) Uani d S 1 . . O
O24 0.0937(2) 0.0795(4) 0.1605(4) 0.0131(14) Uani d . 1 . . O
O25 0.0247(3) 0.0000 0.1679(5) 0.015(2) Uani d S 1 . . O
O26 0.0146(2) 0.1527(4) 0.0899(4) 0.0197(15) Uani d . 1 . . O
O27 -0.0013(2) 0.1334(4) 0.2315(4) 0.0126(13) Uani d . 1 . . O
O28 0.0748(2) 0.0845(4) 0.3021(4) 0.0119(13) Uani d . 1 . . O
O29 0.1224(3) 0.0000 0.4209(5) 0.0089(18) Uani d S 1 . . O
O30 0.0681(2) 0.2174(4) 0.2214(4) 0.0132(14) Uani d . 1 . . O
O31 0.1890(3) 0.0000 0.5333(5) 0.0105(18) Uani d S 1 . . O
O32 0.1950(2) 0.1730(4) 0.5566(4) 0.0177(15) Uani d . 1 . . O
O34 0.1087(2) 0.3269(4) 0.3370(4) 0.0215(16) Uani d . 1 . . O
O35 0.1244(2) 0.1819(4) 0.4264(4) 0.0129(14) Uani d . 1 . . O
O36 -0.0010(3) 0.0000 0.3168(5) 0.0109(19) Uani d S 1 . . O
O37 -0.0349(2) 0.1552(4) 0.3544(4) 0.0162(15) Uani d . 1 . . O
O38 0.0432(2) 0.0809(4) 0.4349(4) 0.0134(14) Uani d . 1 . . O
O39 0.0515(3) 0.0000 0.5738(6) 0.018(2) Uani d S 1 . . O
O40 0.0444(2) 0.2149(4) 0.3494(4) 0.0145(14) Uani d . 1 . . O
O41 0.1190(2) 0.0837(4) 0.5392(4) 0.0131(14) Uani d . 1 . . O
O1S 0.9572(6) 0.0000 0.0119(11) 0.087(6) Uiso d S 1 . . O
O2S 0.9309(4) 0.0000 0.1672(7) 0.033(3) Uiso d S 1 . . O
O3S 0.9028(3) 0.1525(6) 0.1128(5) 0.043(2) Uiso d . 1 . . O
O4S 0.9314(4) 0.2206(7) 0.9985(6) 0.058(3) Uiso d . 1 . . O
O5S 0.4352(3) 0.2578(7) 0.4752(6) 0.052(3) Uiso d . 1 . . O
O6S 0.4032(3) 0.2426(6) 0.2334(5) 0.044(2) Uiso d . 1 . . O
O7S 0.4462(4) 0.1290(7) 0.0805(7) 0.065(3) Uiso d . 1 . . O
O8S 0.2027(4) 0.3947(8) 0.2780(7) 0.072(3) Uiso d . 1 . . O
O9S 0.1359(3) 0.1388(5) 0.6860(4) 0.0288(18) Uiso d . 1 . . O
O10S 0.1391(3) 0.2381(5) 0.1286(5) 0.036(2) Uiso d . 1 . . O
O11S 0.2306(5) 0.0000 0.8691(8) 0.048(4) Uiso d S 1 . . O
O12S 0.1434(4) 0.0000 0.7799(7) 0.043(3) Uiso d S 1 . . O
O13S 0.3160(2) 0.1530(5) 0.5312(4) 0.0258(17) Uiso d . 1 . . O
O14S 0.2725(4) 0.0000 0.4967(7) 0.032(3) Uiso d S 1 . . O
O15S 0.1445(8) 0.5000 0.3388(14) 0.117(8) Uiso d S 1 . . O
O16S 0.2259(5) 0.0000 0.6932(9) 0.057(4) Uiso d S 1 . . O
O17S 0.5223(6) 0.1347(12) 0.1843(11) 0.043(5) Uiso d P 0.50 . . O
W1 0.321038(13) 0.10475(2) 0.06040(2) 0.01323(9) Uani d . 1 . . W
W2 0.379104(17) 0.0000 0.21031(3) 0.01162(11) Uani d S 1 . . W
W3 0.265639(12) 0.21944(2) 0.18656(2) 0.01066(8) Uani d . 1 . . W
W4 0.324427(12) 0.11620(2) 0.33244(2) 0.01023(8) Uani d . 1 . . W
W5 0.141090(17) 0.0000 0.16639(3) 0.01075(11) Uani d S 1 . . W
W6 0.041151(12) 0.11540(2) 0.17691(2) 0.01162(8) Uani d . 1 . . W
W7 0.101637(12) 0.22102(2) 0.32628(2) 0.01119(8) Uani d . 1 . . W
W8 0.165378(12) 0.10633(2) 0.48902(2) 0.01024(8) Uani d . 1 . . W
W9 0.076287(17) 0.0000 0.50341(3) 0.00978(11) Uani d S 1 . . W
W10 0.011628(12) 0.11589(2) 0.33834(2) 0.01043(8) Uani d . 1 . . W
Zr1 0.21186(3) 0.13110(5) 0.31672(5) 0.01027(18) Uani d . 1 . . Zr
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O29 As1 O28 . 6 98.7(3)
O29 As1 O28 . . 98.7(3)
O28 As1 O28 6 . 99.5(4)
O17 As2 O17 . 6 101.7(4)
O17 As2 O13 . . 96.0(3)
O17 As2 O13 6 . 96.0(3)
O22 As3 O12 . . 98.7(3)
O22 As3 O16 . . 96.7(3)
O12 As3 O16 . . 97.9(3)
Zr1 O1 Zr1 6 . 154.4(5)
W8 O3 Zr1 . . 159.3(4)
W7 O4 Zr1 . . 158.2(4)
W4 O5 Zr1 . . 130.7(3)
W3 O6 Zr1 . . 131.2(3)
W5 O7 Zr1 . . 146.3(4)
W1 O8 W1 . 6 120.0(5)
W1 O10 W2 . . 119.0(3)
As3 O12 W1 . . 128.2(4)
As2 O13 W2 . . 129.9(5)
As2 O13 W1 . 6 118.9(3)
W2 O13 W1 . 6 93.7(3)
As2 O13 W1 . . 118.9(3)
W2 O13 W1 . . 93.7(3)
W1 O13 W1 6 . 93.1(3)
W1 O14 W3 . . 153.5(4)
W2 O15 W4 . . 147.8(3)
As3 O16 W3 . . 130.5(4)
As2 O17 W4 . . 136.4(3)
As2 O17 W3 . . 120.8(3)
W4 O17 W3 . . 94.6(2)
W4 O19 W4 6 . 154.3(5)
W3 O20 W4 . . 117.3(3)
W6 O24 W5 . . 154.7(4)
W6 O25 W6 . 6 148.9(5)
W6 O27 W10 . . 121.5(3)
As1 O28 W6 . . 118.5(3)
As1 O28 W7 . . 118.6(3)
W6 O28 W7 . . 92.4(2)
As1 O28 W10 . . 133.3(3)
W6 O28 W10 . . 91.3(2)
W7 O28 W10 . . 92.9(2)
As1 O29 W8 . . 118.9(3)
As1 O29 W8 . 6 118.9(3)
W8 O29 W8 . 6 93.3(3)
As1 O29 W9 . . 132.1(5)
W8 O29 W9 . . 92.2(2)
W8 O29 W9 6 . 92.2(2)
W6 O30 W7 . . 121.1(3)
W8 O31 W8 6 . 121.2(4)
W7 O35 W8 . . 144.4(4)
W10 O36 W10 . 6 150.6(5)
W10 O38 W9 . . 152.5(4)
W10 O40 W7 . . 122.7(3)
W9 O41 W8 . . 121.9(3)
O9 W1 O14 . . 102.2(3)
O9 W1 O10 . . 99.3(3)
O14 W1 O10 . . 92.4(3)
O9 W1 O8 . . 99.5(3)
O14 W1 O8 . . 157.8(3)
O10 W1 O8 . . 88.8(3)
O9 W1 O12 . . 101.4(3)
O14 W1 O12 . . 86.5(3)
O10 W1 O12 . . 159.1(3)
O8 W1 O12 . . 84.6(3)
O9 W1 O13 . . 170.1(3)
O14 W1 O13 . . 85.6(3)
O10 W1 O13 . . 74.0(3)
O8 W1 O13 . . 73.4(3)
O12 W1 O13 . . 85.1(3)
O11 W2 O15 . . 102.8(3)
O11 W2 O15 . 6 102.8(3)
O15 W2 O15 . 6 90.9(4)
O11 W2 O10 . 6 96.9(3)
O15 W2 O10 . 6 159.7(3)
O15 W2 O10 6 6 89.1(3)
O11 W2 O10 . . 96.9(3)
O15 W2 O10 . . 89.1(3)
O15 W2 O10 6 . 159.7(3)
O10 W2 O10 6 . 84.1(4)
O11 W2 O13 . . 166.5(4)
O15 W2 O13 . . 86.6(3)
O15 W2 O13 6 . 86.6(3)
O10 W2 O13 6 . 73.2(3)
O10 W2 O13 . . 73.2(3)
O18 W3 O6 . . 101.6(3)
O18 W3 O20 . . 98.8(3)
O6 W3 O20 . . 93.1(3)
O18 W3 O16 . . 101.2(3)
O6 W3 O16 . . 89.8(3)
O20 W3 O16 . . 158.8(3)
O18 W3 O14 . . 96.5(3)
O6 W3 O14 . . 161.7(3)
O20 W3 O14 . . 87.0(3)
O16 W3 O14 . . 83.8(3)
O18 W3 O17 . . 171.7(3)
O6 W3 O17 . . 80.5(3)
O20 W3 O17 . . 73.0(2)
O16 W3 O17 . . 86.8(3)
O14 W3 O17 . . 82.0(2)
O21 W4 O5 . . 100.0(3)
O21 W4 O19 . . 100.4(3)
O5 W4 O19 . . 94.1(3)
O21 W4 O20 . . 97.6(3)
O5 W4 O20 . . 92.2(3)
O19 W4 O20 . . 159.6(3)
O21 W4 O15 . . 95.9(3)
O5 W4 O15 . . 164.0(3)
O19 W4 O15 . . 83.0(3)
O20 W4 O15 . . 85.6(3)
O21 W4 O17 . . 171.7(3)
O5 W4 O17 . . 81.5(3)
O19 W4 O17 . . 87.5(3)
O20 W4 O17 . . 74.1(2)
O15 W4 O17 . . 82.7(2)
O23 W5 O7 . . 104.9(3)
O23 W5 O7 . 6 104.9(3)
O7 W5 O7 . 6 92.1(4)
O23 W5 O24 . 6 102.2(3)
O7 W5 O24 . 6 152.1(3)
O7 W5 O24 6 6 87.3(3)
O23 W5 O24 . . 102.2(3)
O7 W5 O24 . . 87.3(3)
O7 W5 O24 6 . 152.1(3)
O24 W5 O24 6 . 80.5(4)
O26 W6 O24 . . 101.8(3)
O26 W6 O25 . . 101.3(4)
O24 W6 O25 . . 86.1(3)
O26 W6 O27 . . 100.8(3)
O24 W6 O27 . . 157.3(3)
O25 W6 O27 . . 88.3(3)
O26 W6 O30 . . 99.3(3)
O24 W6 O30 . . 90.2(3)
O25 W6 O30 . . 159.4(3)
O27 W6 O30 . . 87.3(3)
O26 W6 O28 . . 171.2(3)
O24 W6 O28 . . 83.7(2)
O25 W6 O28 . . 85.8(3)
O27 W6 O28 . . 74.0(2)
O30 W6 O28 . . 73.6(2)
O34 W7 O4 . . 103.5(3)
O34 W7 O35 . . 102.0(3)
O4 W7 O35 . . 90.1(3)
O34 W7 O30 . . 99.5(3)
O4 W7 O30 . . 91.9(3)
O35 W7 O30 . . 157.3(3)
O34 W7 O40 . . 97.2(3)
O4 W7 O40 . . 159.2(3)
O35 W7 O40 . . 85.4(3)
O30 W7 O40 . . 84.7(3)
O34 W7 O28 . . 166.6(3)
O4 W7 O28 . . 88.0(2)
O35 W7 O28 . . 84.6(3)
O30 W7 O28 . . 72.8(2)
O40 W7 O28 . . 71.4(2)
O32 W8 O3 . . 104.2(3)
O32 W8 O35 . . 101.9(3)
O3 W8 O35 . . 89.5(3)
O32 W8 O31 . . 99.0(3)
O3 W8 O31 . . 93.3(3)
O35 W8 O31 . . 157.6(3)
O32 W8 O41 . . 96.8(3)
O3 W8 O41 . . 159.0(3)
O35 W8 O41 . . 85.0(3)
O31 W8 O41 . . 84.5(3)
O32 W8 O29 . . 167.0(3)
O3 W8 O29 . . 86.5(3)
O35 W8 O29 . . 85.4(2)
O31 W8 O29 . . 72.6(3)
O41 W8 O29 . . 72.9(3)
O39 W9 O41 . . 100.2(3)
O39 W9 O41 . 6 100.2(3)
O41 W9 O41 . 6 89.1(4)
O39 W9 O38 . 6 102.2(3)
O41 W9 O38 . 6 157.5(3)
O41 W9 O38 6 6 88.8(3)
O39 W9 O38 . . 102.2(3)
O41 W9 O38 . . 88.8(3)
O41 W9 O38 6 . 157.5(3)
O38 W9 O38 6 . 84.6(4)
O39 W9 O29 . . 170.2(4)
O41 W9 O29 . . 73.0(2)
O41 W9 O29 6 . 73.0(2)
O38 W9 O29 6 . 85.0(2)
O38 W9 O29 . . 85.0(2)
O37 W10 O40 . . 99.4(3)
O37 W10 O38 . . 102.9(3)
O40 W10 O38 . . 90.0(3)
O37 W10 O36 . . 104.0(3)
O40 W10 O36 . . 156.5(3)
O38 W10 O36 . . 86.6(3)
O37 W10 O27 . . 99.2(3)
O40 W10 O27 . . 87.3(3)
O38 W10 O27 . . 157.9(3)
O36 W10 O27 . . 87.3(3)
O37 W10 O28 . . 169.3(3)
O40 W10 O28 . . 73.1(2)
O38 W10 O28 . . 85.0(3)
O36 W10 O28 . . 83.5(3)
O27 W10 O28 . . 73.3(2)
O7 Zr1 O5 . . 131.9(2)
O7 Zr1 O6 . . 80.9(2)
O5 Zr1 O6 . . 83.7(2)
O7 Zr1 O3 . . 121.1(2)
O5 Zr1 O3 . . 94.0(2)
O6 Zr1 O3 . . 148.9(2)
O7 Zr1 O4 . . 77.5(3)
O5 Zr1 O4 . . 147.9(2)
O6 Zr1 O4 . . 90.1(2)
O3 Zr1 O4 . . 75.5(2)
O7 Zr1 O1 . . 78.6(3)
O5 Zr1 O1 . . 79.5(3)
O6 Zr1 O1 . . 133.0(3)
O3 Zr1 O1 . . 76.2(3)
O4 Zr1 O1 . . 125.2(3)
O7 Zr1 O2 . . 142.1(3)
O5 Zr1 O2 . . 72.7(2)
O6 Zr1 O2 . . 73.4(2)
O3 Zr1 O2 . . 76.3(2)
O4 Zr1 O2 . . 75.3(2)
O1 Zr1 O2 . . 139.1(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
As1 O29 . 1.767(8) ?
As1 O28 6 1.770(6) ?
As1 O28 . 1.770(6) ?
As2 O17 . 1.770(6) ?
As2 O17 6 1.770(6) ?
As2 O13 . 1.826(9) ?
As3 O22 . 1.770(8) ?
As3 O12 . 1.772(7) ?
As3 O16 . 1.787(6) ?
N1 O17S . 1.48(4) ?
N4 N4 2_656 1.90(7) ?
O1 Zr1 6 2.150(2) ?
O1 Zr1 . 2.150(2) ?
O2 Zr1 . 2.327(6) ?
O3 W8 . 1.801(6) ?
O3 Zr1 . 2.130(6) ?
O4 W7 . 1.811(6) ?
O4 Zr1 . 2.136(6) ?
O5 W4 . 1.816(6) ?
O5 Zr1 . 2.107(6) ?
O6 W3 . 1.823(6) ?
O6 Zr1 . 2.123(6) ?
O7 W5 . 1.807(6) ?
O7 Zr1 . 2.093(7) ?
O8 W1 . 1.934(5) ?
O8 W1 6 1.934(5) ?
O9 W1 . 1.711(7) ?
O10 W1 . 1.902(7) ?
O10 W2 . 1.984(7) ?
O11 W2 . 1.729(10) ?
O12 W1 . 1.946(7) ?
O13 W2 . 2.281(9) ?
O13 W1 6 2.308(6) ?
O13 W1 . 2.308(6) ?
O14 W1 . 1.865(6) ?
O14 W3 . 1.995(6) ?
O15 W2 . 1.849(6) ?
O15 W4 . 2.001(6) ?
O16 W3 . 1.952(7) ?
O17 W4 . 2.209(7) ?
O17 W3 . 2.276(6) ?
O18 W3 . 1.716(6) ?
O19 W4 6 1.906(2) ?
O19 W4 . 1.906(2) ?
O20 W3 . 1.917(7) ?
O20 W4 . 1.940(6) ?
O21 W4 . 1.723(7) ?
O23 W5 . 1.738(9) ?
O24 W6 . 1.884(6) ?
O24 W5 . 1.968(6) ?
O25 W6 . 1.916(2) ?
O25 W6 6 1.916(2) ?
O26 W6 . 1.713(7) ?
O27 W6 . 1.919(6) ?
O27 W10 . 1.922(6) ?
O28 W6 . 2.329(7) ?
O28 W7 . 2.347(6) ?
O28 W10 . 2.357(6) ?
O29 W8 . 2.338(6) ?
O29 W8 6 2.338(6) ?
O29 W9 . 2.388(8) ?
O30 W6 . 1.928(6) ?
O30 W7 . 1.949(7) ?
O31 W8 6 1.952(4) ?
O31 W8 . 1.952(4) ?
O32 W8 . 1.724(7) ?
O34 W7 . 1.714(7) ?
O35 W7 . 1.902(7) ?
O35 W8 . 1.932(6) ?
O36 W10 . 1.916(2) ?
O36 W10 6 1.916(2) ?
O37 W10 . 1.719(6) ?
O38 W10 . 1.885(6) ?
O38 W9 . 1.924(6) ?
O39 W9 . 1.690(9) ?
O40 W10 . 1.884(6) ?
O40 W7 . 2.000(6) ?
O41 W9 . 1.907(6) ?
O41 W8 . 1.986(6) ?
W2 O15 6 1.849(6) ?
W2 O10 6 1.984(7) ?
W5 O7 6 1.807(6) ?
W5 O24 6 1.968(6) ?
W9 O41 6 1.907(6) ?
W9 O38 6 1.924(6) ?
