#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/29/2012987.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_2012987
loop_
_publ_author_name
'Higami, Tomoyuki'
'Hashimoto, Masato'
'Okeya, Seichi'
_publ_section_title
;
 [Ni(H₂O)₆]₂[Na(H₂O)₃]₂[V₁₀O₂₈]·4H₂O,
 bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate
 tetrahydrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i144
_journal_page_last               i146
_journal_paper_doi               10.1107/S0108270102015603
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ni (H2 O)6]2 [Na (H2 O)3]2 V10 O28 , 4H2 O'
_chemical_formula_structural     '[Ni (H2 O)6]2 [Na (H2 O)3]2 V10 O28 , 4H2 O'
_chemical_formula_sum            'H44 Na2 Ni2 O50 V10'
_chemical_formula_weight         1517.15
_chemical_name_systematic
;
bis(nickel hexahydrate) bis(sodium trihydrate) decavanadate tetrahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                93.19(2)
_cell_angle_beta                 99.83(2)
_cell_angle_gamma                109.65(2)
_cell_formula_units_Z            1
_cell_length_a                   10.836(2)
_cell_length_b                   12.606(2)
_cell_length_c                   8.3310(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.50
_cell_measurement_theta_min      16.84
_cell_volume                     1048.1(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1995)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC-5R automated four-circle'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_av_sigmaI/netI    0.109
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6109
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         2.86
_diffrn_standards_decay_%        -0.3
_diffrn_standards_interval_count 1.9
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    3.151
_exptl_absorpt_correction_T_max  0.854
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details
'TEXSAN (Molecular Structure Corporation, 1995)'
_exptl_crystal_colour            green-orange
_exptl_crystal_density_diffrn    2.404
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.81
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         6109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.146
_refine_ls_R_factor_gt           0.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0315P)²+9.2497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.128
_refine_ls_wR_factor_ref         0.152
_reflns_number_gt                3399
_reflns_number_total             6109
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            iz1023.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               2012987
_cod_database_fobs_code          2012987
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Ni1 0.5000 0.0000 0.0000 0.0193(3) Uani d S 1 . . Ni
Ni2 0.0000 0.5000 0.0000 0.0225(3) Uani d S 1 . . Ni
V1 0.52589(11) 0.29325(10) 0.48469(14) 0.0161(2) Uani d . 1 . . V
V2 0.54232(11) 0.51351(10) 0.70205(14) 0.0135(2) Uani d . 1 . . V
V3 0.31139(12) 0.28671(11) 0.69173(15) 0.0198(3) Uani d . 1 . . V
V4 0.23279(12) 0.26101(10) 0.31599(15) 0.0190(3) Uani d . 1 . . V
V5 0.24935(11) 0.48117(10) 0.52379(14) 0.0155(2) Uani d . 1 . . V
Na1 0.7383(3) 0.1032(3) 0.3864(4) 0.0301(7) Uani d . 1 . . Na
O1 0.6239(5) 0.2247(4) 0.4637(7) 0.0262(12) Uani d . 1 . . O
O2 0.4499(5) 0.2346(4) 0.6524(6) 0.0191(10) Uani d . 1 . . O
O3 0.3786(5) 0.2131(4) 0.3211(6) 0.0184(10) Uani d . 1 . . O
O4 0.3506(4) 0.5699(4) 0.3673(5) 0.0149(9) Uani d . 1 . . O
O5 0.4161(5) 0.5900(4) 0.6700(6) 0.0170(10) Uani d . 1 . . O
O6 0.5982(4) 0.5975(4) 0.4974(6) 0.0150(9) Uani d . 1 . . O
O7 0.4685(5) 0.4206(4) 0.8245(6) 0.0216(11) Uani d . 1 . . O
O8 0.6717(5) 0.6192(4) 0.8233(6) 0.0183(10) Uani d . 1 . . O
O9 0.2603(5) 0.2146(5) 0.8350(7) 0.0308(13) Uani d . 1 . . O
O10 0.1987(5) 0.2008(4) 0.5061(6) 0.0208(10) Uani d . 1 . . O
O11 0.2197(5) 0.3897(4) 0.6848(6) 0.0196(10) Uani d . 1 . . O
O12 0.1211(5) 0.1717(5) 0.1748(7) 0.0316(13) Uani d . 1 . . O
O13 0.1498(5) 0.5507(4) 0.5359(7) 0.0258(12) Uani d . 1 . . O
O14 0.1532(5) 0.3682(4) 0.3578(6) 0.0183(10) Uani d . 1 . . O
O15 0.6738(5) 0.1368(4) 0.0905(7) 0.0280(12) Uani d . 1 . . O
O16 0.5122(5) -0.0434(4) 0.2414(6) 0.0226(11) Uani d . 1 . . O
O17 0.3841(6) 0.0934(5) 0.0456(6) 0.0303(13) Uani d . 1 . . O
O18 -0.0518(5) 0.4074(5) 0.1884(6) 0.0288(12) Uani d . 1 . . O
O19 -0.1724(5) 0.3819(5) -0.1394(7) 0.0315(13) Uani d . 1 . . O
O20 0.1065(6) 0.3955(5) -0.0516(7) 0.0319(14) Uani d . 1 . . O
O21A 0.914(4) 0.023(3) 0.383(4) 0.050(8) Uani d P 0.30 . . O
O21B 0.8811(15) 0.0220(12) 0.2953(19) 0.058(4) Uani d P 0.70 . . O
O22 0.9216(6) 0.2515(6) 0.5481(9) 0.0494(18) Uani d . 1 . . O
O23 0.6994(6) 0.0209(5) 0.6312(7) 0.0324(13) Uani d . 1 . . O
O24 0.3706(5) 0.6672(5) 0.9513(7) 0.0294(12) Uani d . 1 . . O
O25 0.8820(7) 0.1568(6) -0.0816(9) 0.0492(18) Uani d . 1 . . O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O17 Ni1 O17 . 2_655 180.0 n
O17 Ni1 O15 . 2_655 88.5(2) n
O17 Ni1 O15 2_655 2_655 91.5(2) n
O17 Ni1 O15 . . 91.5(2) n
O17 Ni1 O15 2_655 . 88.5(2) n
O15 Ni1 O15 2_655 . 180.0 n
O17 Ni1 O16 . 2_655 89.6(2) n
O17 Ni1 O16 2_655 2_655 90.4(2) n
O15 Ni1 O16 2_655 2_655 86.6(2) n
O15 Ni1 O16 . 2_655 93.4(2) n
O17 Ni1 O16 . . 90.4(2) n
O17 Ni1 O16 2_655 . 89.6(2) n
O15 Ni1 O16 2_655 . 93.4(2) n
O15 Ni1 O16 . . 86.6(2) n
O16 Ni1 O16 2_655 . 180.0 n
O18 Ni2 O18 2_565 . 180.0 n
O18 Ni2 O19 2_565 2_565 84.7(2) n
O18 Ni2 O19 . 2_565 95.3(2) n
O18 Ni2 O19 2_565 . 95.3(2) n
O18 Ni2 O19 . . 84.7(2) n
O19 Ni2 O19 2_565 . 180.0 n
O18 Ni2 O20 2_565 2_565 87.9(2) n
O18 Ni2 O20 . 2_565 92.1(2) n
O19 Ni2 O20 2_565 2_565 89.7(2) n
O19 Ni2 O20 . 2_565 90.3(2) n
O18 Ni2 O20 2_565 . 92.1(2) n
O18 Ni2 O20 . . 87.9(2) n
O19 Ni2 O20 2_565 . 90.3(2) n
O19 Ni2 O20 . . 89.7(2) n
O20 Ni2 O20 2_565 . 180.0 n
O1 V1 O2 . . 103.4(2) n
O1 V1 O3 . . 100.9(2) n
O2 V1 O3 . . 95.2(2) n
O1 V1 O4 . 2_666 101.2(2) n
O2 V1 O4 . 2_666 91.2(2) n
O3 V1 O4 . 2_666 154.8(2) n
O1 V1 O5 . 2_666 99.2(2) n
O2 V1 O5 . 2_666 155.9(2) n
O3 V1 O5 . 2_666 88.4(2) n
O4 V1 O5 2_666 2_666 76.31(19) n
O1 V1 O6 . 2_666 174.4(2) n
O2 V1 O6 . 2_666 81.72(19) n
O3 V1 O6 . 2_666 80.66(19) n
O4 V1 O6 2_666 2_666 76.20(18) n
O5 V1 O6 2_666 2_666 75.42(17) n
O1 V1 V5 . 2_666 90.66(19) n
O2 V1 V5 . 2_666 130.72(17) n
O3 V1 V5 . 2_666 128.51(16) n
O4 V1 V5 2_666 2_666 39.55(13) n
O5 V1 V5 2_666 2_666 40.09(14) n
O6 V1 V5 2_666 2_666 84.23(12) n
O1 V1 V3 . . 137.1(2) n
O2 V1 V3 . . 34.01(14) n
O3 V1 V3 . . 83.73(15) n
O4 V1 V3 2_666 . 88.20(14) n
O5 V1 V3 2_666 . 123.67(13) n
O6 V1 V3 2_666 . 48.25(12) n
V5 V1 V3 2_666 . 119.82(5) n
O7 V2 O8 . . 107.5(2) n
O7 V2 O5 . . 98.1(2) n
O8 V2 O5 . . 98.5(2) n
O7 V2 O4 . 2_666 96.5(2) n
O8 V2 O4 . 2_666 96.0(2) n
O5 V2 O4 . 2_666 155.2(2) n
O7 V2 O6 . 2_666 86.9(2) n
O8 V2 O6 . 2_666 165.5(2) n
O5 V2 O6 . 2_666 80.91(19) n
O4 V2 O6 2_666 2_666 80.09(18) n
O7 V2 O6 . . 164.7(2) n
O8 V2 O6 . . 87.8(2) n
O5 V2 O6 . . 80.46(19) n
O4 V2 O6 2_666 . 80.10(19) n
O6 V2 O6 2_666 . 77.80(19) n
O7 V2 V3 . . 38.12(18) n
O8 V2 V3 . . 145.59(17) n
O5 V2 V3 . . 89.87(15) n
O4 V2 V3 2_666 . 89.47(14) n
O6 V2 V3 2_666 . 48.76(13) n
O6 V2 V3 . . 126.56(14) n
O7 V2 V4 . 2_666 146.19(19) n
O8 V2 V4 . 2_666 38.71(17) n
O5 V2 V4 . 2_666 89.12(15) n
O4 V2 V4 2_666 2_666 89.69(14) n
O6 V2 V4 2_666 2_666 126.93(13) n
O6 V2 V4 . 2_666 49.13(13) n
V3 V2 V4 . 2_666 175.69(5) n
O9 V3 O10 . . 103.1(3) n
O9 V3 O11 . . 102.6(3) n
O10 V3 O11 . . 91.6(2) n
O9 V3 O2 . . 101.3(2) n
O10 V3 O2 . . 91.4(2) n
O11 V3 O2 . . 154.5(2) n
O9 V3 O7 . . 100.9(3) n
O10 V3 O7 . . 155.9(2) n
O11 V3 O7 . . 84.2(2) n
O2 V3 O7 . . 82.7(2) n
O9 V3 O6 . 2_666 174.7(3) n
O10 V3 O6 . 2_666 82.18(19) n
O11 V3 O6 . 2_666 77.62(18) n
O2 V3 O6 . 2_666 77.78(18) n
O7 V3 O6 . 2_666 73.78(18) n
O9 V3 V4 . . 136.2(2) n
O10 V3 V4 . . 33.11(16) n
O11 V3 V4 . . 84.46(15) n
O2 V3 V4 . . 84.40(16) n
O7 V3 V4 . . 122.84(14) n
O6 V3 V4 2_666 . 49.07(12) n
O9 V3 V2 . . 131.4(2) n
O10 V3 V2 . . 125.44(17) n
O11 V3 V2 . . 78.81(16) n
O2 V3 V2 . . 78.86(15) n
O7 V3 V2 . . 30.52(13) n
O6 V3 V2 2_666 . 43.27(12) n
V4 V3 V2 . . 92.33(5) n
O9 V3 V5 . . 135.0(2) n
O10 V3 V5 . . 82.39(16) n
O11 V3 V5 . . 32.48(14) n
O2 V3 V5 . . 123.40(15) n
O7 V3 V5 . . 81.48(14) n
O6 V3 V5 2_666 . 45.62(11) n
V4 V3 V5 . . 60.87(4) n
V2 V3 V5 . . 61.18(4) n
O9 V3 V1 . . 133.5(2) n
O10 V3 V1 . . 82.11(16) n
O11 V3 V1 . . 123.65(15) n
O2 V3 V1 . . 32.25(14) n
O7 V3 V1 . . 80.58(14) n
O6 V3 V1 2_666 . 46.03(12) n
V4 V3 V1 . . 60.83(4) n
V2 V3 V1 . . 61.48(4) n
V5 V3 V1 . . 91.46(5) n
O9 V3 O21B . 2_656 46.4(3) n
O10 V3 O21B . 2_656 60.6(3) n
O11 V3 O21B . 2_656 118.7(3) n
O2 V3 O21B . 2_656 84.5(3) n
O7 V3 O21B . 2_656 141.1(3) n
O6 V3 O21B 2_666 2_656 138.2(3) n
V4 V3 O21B . 2_656 92.1(2) n
V2 V3 O21B . 2_656 162.3(2) n
V5 V3 O21B . 2_656 135.1(2) n
V1 V3 O21B . 2_656 106.3(2) n
O9 V3 O21A . 2_656 56.5(5) n
O10 V3 O21A . 2_656 49.1(5) n
O11 V3 O21A . 2_656 114.3(6) n
O2 V3 O21A . 2_656 86.3(6) n
O7 V3 O21A . 2_656 152.4(5) n
O6 V3 O21A 2_666 2_656 128.4(5) n
V4 V3 O21A . 2_656 81.0(4) n
V2 V3 O21A . 2_656 164.3(6) n
V5 V3 O21A . 2_656 125.3(5) n
V1 V3 O21A . 2_656 103.0(6) n
O21B V3 O21A 2_656 2_656 11.5(4) n
O12 V4 O10 . . 103.9(3) n
O12 V4 O3 . . 102.4(2) n
O10 V4 O3 . . 91.6(2) n
O12 V4 O14 . . 102.6(3) n
O10 V4 O14 . . 91.0(2) n
O3 V4 O14 . . 153.5(2) n
O12 V4 O8 . 2_666 100.2(3) n
O10 V4 O8 . 2_666 155.8(2) n
O3 V4 O8 . 2_666 84.9(2) n
O14 V4 O8 . 2_666 82.0(2) n
O12 V4 O6 . 2_666 174.5(3) n
O10 V4 O6 . 2_666 81.53(19) n
O3 V4 O6 . 2_666 77.83(18) n
O14 V4 O6 . 2_666 76.48(18) n
O8 V4 O6 2_666 2_666 74.28(17) n
O12 V4 V3 . . 136.9(2) n
O10 V4 V3 . . 32.93(16) n
O3 V4 V3 . . 84.61(15) n
O14 V4 V3 . . 83.34(15) n
O8 V4 V3 2_666 . 122.86(14) n
O6 V4 V3 2_666 . 48.60(11) n
O12 V4 V2 . 2_666 131.1(2) n
O10 V4 V2 . 2_666 124.91(17) n
O3 V4 V2 . 2_666 78.79(15) n
O14 V4 V2 . 2_666 78.14(15) n
O8 V4 V2 2_666 2_666 30.93(13) n
O6 V4 V2 2_666 2_666 43.37(11) n
V3 V4 V2 . 2_666 91.97(5) n
O13 V5 O11 . . 103.0(2) n
O13 V5 O14 . . 102.5(2) n
O11 V5 O14 . . 94.4(2) n
O13 V5 O4 . . 98.1(2) n
O11 V5 O4 . . 156.9(2) n
O14 V5 O4 . . 90.1(2) n
O13 V5 O5 . . 99.5(2) n
O11 V5 O5 . . 90.8(2) n
O14 V5 O5 . . 155.6(2) n
O4 V5 O5 . . 76.41(19) n
O13 V5 O6 . 2_666 174.0(2) n
O11 V5 O6 . 2_666 81.68(19) n
O14 V5 O6 . 2_666 80.76(19) n
O4 V5 O6 . 2_666 76.70(18) n
O5 V5 O6 . 2_666 76.46(18) n
O13 V5 V1 . 2_666 88.8(2) n
O11 V5 V1 . 2_666 131.26(17) n
O14 V5 V1 . 2_666 129.37(16) n
O4 V5 V1 . 2_666 39.29(13) n
O5 V5 V1 . 2_666 40.46(13) n
O6 V5 V1 2_666 2_666 85.24(12) n
O13 V5 V3 . . 136.5(2) n
O11 V5 V3 . . 33.74(15) n
O14 V5 V3 . . 83.38(15) n
O4 V5 V3 . . 125.13(13) n
O5 V5 V3 . . 87.93(14) n
O6 V5 V3 2_666 . 48.45(12) n
V1 V5 V3 2_666 . 120.80(5) n
O13 V5 O18 . . 63.0(2) n
O11 V5 O18 . . 111.75(18) n
O14 V5 O18 . . 40.77(16) n
O4 V5 O18 . . 86.16(15) n
O5 V5 O18 . . 153.49(16) n
O6 V5 O18 2_666 . 119.09(16) n
V1 V5 O18 2_666 . 115.63(10) n
V3 V5 O18 . . 118.54(10) n
O13 V5 O22 . 1_455 76.7(2) n
O11 V5 O22 . 1_455 53.41(19) n
O14 V5 O22 . 1_455 56.51(19) n
O4 V5 O22 . 1_455 142.91(18) n
O5 V5 O22 . 1_455 140.58(18) n
O6 V5 O22 2_666 1_455 109.33(16) n
V1 V5 O22 2_666 1_455 165.42(11) n
V3 V5 O22 . 1_455 71.17(11) n
O18 V5 O22 . 1_455 58.44(14) n
O21B Na1 O22 . . 91.0(4) n
O21B Na1 O23 . . 103.2(4) n
O22 Na1 O23 . . 88.0(3) n
O21B Na1 O1 . . 167.3(4) n
O22 Na1 O1 . . 80.7(2) n
O23 Na1 O1 . . 86.3(2) n
O21B Na1 O21A . . 18.0(7) n
O22 Na1 O21A . . 80.2(9) n
O23 Na1 O21A . . 88.4(7) n
O1 Na1 O21A . . 160.3(9) n
O21B Na1 O15 . . 86.8(4) n
O22 Na1 O15 . . 115.1(2) n
O23 Na1 O15 . . 155.0(2) n
O1 Na1 O15 . . 88.0(2) n
O21A Na1 O15 . . 104.4(7) n
O21B Na1 O16 . . 99.7(4) n
O22 Na1 O16 . . 169.0(2) n
O23 Na1 O16 . . 87.4(2) n
O1 Na1 O16 . . 89.0(2) n
O21A Na1 O16 . . 109.6(9) n
O15 Na1 O16 . . 68.19(18) n
O21B Na1 O17 . 2_655 60.9(4) n
O22 Na1 O17 . 2_655 143.0(2) n
O23 Na1 O17 . 2_655 119.9(2) n
O1 Na1 O17 . 2_655 121.71(18) n
O21A Na1 O17 . 2_655 77.2(8) n
O15 Na1 O17 . 2_655 45.67(15) n
O16 Na1 O17 . 2_655 47.02(15) n
O21B Na1 O18 . 1_655 87.5(4) n
O22 Na1 O18 . 1_655 58.1(2) n
O23 Na1 O18 . 1_655 144.9(2) n
O1 Na1 O18 . 1_655 79.88(17) n
O21A Na1 O18 . 1_655 93.9(8) n
O15 Na1 O18 . 1_655 56.95(15) n
O16 Na1 O18 . 1_655 124.14(16) n
O17 Na1 O18 2_655 1_655 94.67(13) n
O21B Na1 O17 . . 118.7(4) n
O22 Na1 O17 . . 133.6(2) n
O23 Na1 O17 . . 115.43(19) n
O1 Na1 O17 . . 62.83(16) n
O21A Na1 O17 . . 135.9(8) n
O15 Na1 O17 . . 41.52(15) n
O16 Na1 O17 . . 41.61(14) n
O17 Na1 O17 2_655 . 58.91(13) n
O18 Na1 O17 1_655 . 86.52(12) n
V1 O1 Na1 . . 169.0(3) n
V1 O1 O22 . . 141.0(3) n
Na1 O1 O22 . . 49.11(18) n
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
Ni1 O17 . 2.053(5) y
Ni1 O17 2_655 2.053(5) y
Ni1 O15 2_655 2.067(5) y
Ni1 O15 . 2.067(5) y
Ni1 O16 2_655 2.107(5) y
Ni1 O16 . 2.107(5) y
Ni2 O18 2_565 2.050(5) y
Ni2 O18 . 2.050(5) y
Ni2 O19 2_565 2.062(6) y
Ni2 O19 . 2.062(6) y
Ni2 O20 2_565 2.092(5) y
Ni2 O20 . 2.092(5) y
V1 O1 . 1.603(5) y
V1 O2 . 1.810(5) y
V1 O3 . 1.856(5) y
V1 O4 2_666 1.984(5) y
V1 O5 2_666 2.022(5) y
V1 O6 2_666 2.241(5) y
V1 V5 2_666 3.0734(19) n
V1 V3 . 3.1049(18) n
V2 O7 . 1.683(5) y
V2 O8 . 1.695(5) y
V2 O5 . 1.913(5) y
V2 O4 2_666 1.941(5) y
V2 O6 2_666 2.117(5) y
V2 O6 . 2.125(5) y
V2 V3 . 3.087(2) n
V2 V4 2_666 3.091(2) n
V3 O9 . 1.602(5) y
V3 O10 . 1.826(5) y
V3 O11 . 1.879(5) y
V3 O2 . 1.897(5) y
V3 O7 . 2.046(5) y
V3 O6 2_666 2.323(5) y
V3 V4 . 3.0692(18) n
V3 V5 . 3.0964(17) n
V3 O21B 2_656 3.764(15) no
V3 O21A 2_656 3.79(4) no
V4 O12 . 1.602(6) y
V4 O10 . 1.834(5) y
V4 O3 . 1.866(5) y
V4 O14 . 1.877(5) y
V4 O8 2_666 2.062(5) y
V4 O6 2_666 2.340(5) y
V4 V2 2_666 3.091(2) n
V5 O13 . 1.614(5) y
V5 O11 . 1.817(5) y
V5 O14 . 1.822(5) y
V5 O4 . 1.995(5) y
V5 O5 . 2.006(5) y
V5 O6 2_666 2.219(5) y
V5 V1 2_666 3.0734(19) n
V5 O18 . 3.725(5) no
V5 O22 1_455 3.799(7) no
Na1 O21B . 2.323(16) y
Na1 O22 . 2.358(7) y
Na1 O23 . 2.377(6) y
Na1 O1 . 2.395(6) y
Na1 O21A . 2.44(4) y
Na1 O15 . 2.544(6) y
Na1 O16 . 2.564(6) y
Na1 O17 2_655 4.003(6) no
Na1 O18 1_655 4.326(7) no
Na1 O17 . 4.328(6) no
O1 O22 . 3.079(8) n
O2 O16 2_656 2.746(6) n
O3 O17 . 2.697(7) n
O3 O23 2_656 2.853(7) n
O4 O19 2_565 2.714(7) n
O5 O24 . 2.673(7) n
O7 O24 2_667 2.858(7) n
O8 O20 2_666 2.865(7) n
O9 O17 1_556 2.844(7) n
O9 O21B 2_656 2.901(16) n
O10 O21A 2_656 2.94(3) n
O10 O21A 1_455 3.10(4) n
O11 O20 1_556 2.702(7) n
O11 O22 1_455 3.083(8) n
O12 O25 1_455 3.009(9) n
O12 O21B 1_455 3.023(16) n
O13 O18 2_566 2.785(7) n
O13 O22 2_666 2.934(8) n
O14 O18 . 2.630(7) n
O15 O24 2_666 2.702(8) n
O15 O25 . 2.824(9) n
O16 O2 2_656 2.746(6) n
O16 O23 2_656 2.775(7) n
O17 O9 1_554 2.844(7) n
O18 O13 2_566 2.785(7) n
O19 O4 2_565 2.714(7) n
O19 O24 2_566 2.796(8) n
O19 O20 . 2.929(7) n
O19 O25 1_455 3.131(9) n
O20 O11 1_554 2.702(7) n
O20 O8 2_666 2.865(7) n
O21A O10 2_656 2.94(3) n
O21A O22 . 3.09(4) n
O21A O10 1_655 3.10(4) n
O21B O9 2_656 2.901(16) n
O21B O12 1_655 3.023(16) n
O22 O13 2_666 2.934(8) n
O22 O11 1_655 3.083(8) n
O23 O16 2_656 2.775(7) n
O23 O3 2_656 2.853(7) n
O23 O25 1_556 2.868(9) n
O24 O15 2_666 2.702(8) n
O24 O19 2_566 2.796(8) n
O24 O7 2_667 2.858(7) n
O25 O23 1_554 2.868(9) n
O25 O12 1_655 3.009(9) n
O25 O19 1_655 3.131(9) n
