#------------------------------------------------------------------------------
#$Date: 2021-04-08 11:40:11 +0300 (Thu, 08 Apr 2021) $
#$Revision: 263978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/15/1561567.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_1561567
loop_
_publ_author_name
'Sanjeewa, Liurukara D.'
'McMillen, Colin D.'
'Willett, Daniel'
'Chumanov, George'
'Kolis, Joseph W.'
_publ_section_title
;
 Hydrothermal synthesis of single crystals of transition metal vanadates
 in the glaserite phase
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               68
_journal_paper_doi               10.1016/j.jssc.2015.07.039
_journal_volume                  236
_journal_year                    2016
_chemical_formula_sum            'Ba Mn Na2 O8 V2'
_chemical_formula_weight         468.14
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P -3 m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   5.5921(8)
_cell_length_b                   5.5921(8)
_cell_length_c                   7.1628(14)
_cell_measurement_reflns_used    1228
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.9028
_cell_measurement_theta_min      2.8386
_cell_volume                     193.98(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'DIAMOND (Bradenburg, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku AFC8S'
_diffrn_measurement_method       'ω scans'
_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  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1714
_diffrn_reflns_theta_full        25.91
_diffrn_reflns_theta_max         25.91
_diffrn_reflns_theta_min         2.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.053
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB, CrystalClear'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    4.007
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             213
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.538
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.218
_refine_ls_extinction_coef       0.16(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     33
_refine_ls_number_reflns         170
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0337P)²+1.9688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0766
_refine_ls_wR_factor_ref         0.0766
_reflns_number_gt                170
_reflns_number_total             170
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-236-61.cif
_cod_data_source_block           Na2BaMnV2O8
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Trigonal' was changed to
'trigonal' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

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

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-3m1
_cod_database_code               1561567
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.0000 0.0000 0.0000 0.0101(7) Uani 1 12 d S . .
V1 V 0.6667 0.3333 0.2674(3) 0.0103(6) Uani 1 6 d S . .
O2 O 0.6667 0.3333 0.5022(12) 0.022(2) Uani 1 6 d S . .
Ba1 Ba 0.0000 0.0000 0.5000 0.0199(6) Uani 1 12 d S . .
Na1 Na 0.3333 0.6667 0.1708(8) 0.0188(12) Uani 1 6 d S . .
O1A O 0.226(4) 0.330(4) -0.201(3) 0.010(5) Uani 0.25 1 d PU . .
O1B O 0.110(5) 0.354(5) -0.171(3) 0.014(6) Uani 0.25 1 d PU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
V V 0.3005 0.5294 '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
O1B Mn1 O1B 180.0(8) 8 2
O1B Mn1 O1B 20.2(12) 8 4
O1B Mn1 O1B 159.8(12) 2 4
O1B Mn1 O1B 159.8(12) 8 10
O1B Mn1 O1B 20.2(12) 2 10
O1B Mn1 O1B 180.0(17) 4 10
O1B Mn1 O1B 105.4(12) 8 11
O1B Mn1 O1B 74.6(12) 2 11
O1B Mn1 O1B 89.5(8) 4 11
O1B Mn1 O1B 90.5(8) 10 11
O1B Mn1 O1B 102.8(11) 8 6
O1B Mn1 O1B 77.2(11) 2 6
O1B Mn1 O1B 90.5(8) 4 6
O1B Mn1 O1B 89.5(8) 10 6
O1B Mn1 O1B 89.5(8) 11 6
O1B Mn1 O1B 90.5(8) 8 9
O1B Mn1 O1B 89.5(8) 2 9
O1B Mn1 O1B 102.8(11) 4 9
O1B Mn1 O1B 77.2(11) 10 9
O1B Mn1 O1B 159.8(12) 11 9
O1B Mn1 O1B 74.6(12) 6 9
O1B Mn1 O1B 74.6(12) 8 5
O1B Mn1 O1B 105.4(12) 2 5
O1B Mn1 O1B 90.5(8) 4 5
O1B Mn1 O1B 89.5(8) 10 5
O1B Mn1 O1B 180.0(14) 11 5
O1B Mn1 O1B 90.5(8) 6 5
O1B Mn1 O1B 20.2(12) 9 5
O1B Mn1 O1B 90.5(8) 8 7
O1B Mn1 O1B 89.5(8) 2 7
O1B Mn1 O1B 74.6(12) 4 7
O1B Mn1 O1B 105.4(12) 10 7
O1B Mn1 O1B 77.2(11) 11 7
O1B Mn1 O1B 20.2(12) 6 7
O1B Mn1 O1B 90.5(8) 9 7
O1B Mn1 O1B 102.8(11) 5 7
O1B Mn1 O1B 77.2(11) 8 12
O1B Mn1 O1B 102.8(11) 2 12
O1B Mn1 O1B 89.5(8) 4 12
O1B Mn1 O1B 90.5(8) 10 12
O1B Mn1 O1B 90.5(8) 11 12
O1B Mn1 O1B 180.0(13) 6 12
O1B Mn1 O1B 105.4(12) 9 12
O1B Mn1 O1B 89.5(8) 5 12
O1B Mn1 O1B 159.8(12) 7 12
O1B Mn1 O1B 89.5(8) 8 .
O1B Mn1 O1B 90.5(8) 2 .
O1B Mn1 O1B 105.4(12) 4 .
O1B Mn1 O1B 74.6(12) 10 .
O1B Mn1 O1B 102.8(11) 11 .
O1B Mn1 O1B 159.8(12) 6 .
O1B Mn1 O1B 89.5(8) 9 .
O1B Mn1 O1B 77.2(11) 5 .
O1B Mn1 O1B 180.000(1) 7 .
O1B Mn1 O1B 20.2(12) 12 .
O1B Mn1 O1B 89.5(8) 8 3
O1B Mn1 O1B 90.5(8) 2 3
O1B Mn1 O1B 77.2(11) 4 3
O1B Mn1 O1B 102.8(11) 10 3
O1B Mn1 O1B 20.2(12) 11 3
O1B Mn1 O1B 105.4(12) 6 3
O1B Mn1 O1B 180.000(1) 9 3
O1B Mn1 O1B 159.8(12) 5 3
O1B Mn1 O1B 89.5(8) 7 3
O1B Mn1 O1B 74.6(12) 12 3
O1B Mn1 O1B 90.5(8) . 3
O2 V1 O1B 113.8(7) . 5_655
O2 V1 O1B 113.8(7) . 9_655
O1B V1 O1B 25.5(15) 5_655 9_655
O2 V1 O1B 113.8(7) . 4
O1B V1 O1B 104.8(8) 5_655 4
O1B V1 O1B 82.4(15) 9_655 4
O2 V1 O1B 113.8(7) . 7_665
O1B V1 O1B 82.4(15) 5_655 7_665
O1B V1 O1B 104.8(8) 9_655 7_665
O1B V1 O1B 123.0(14) 4 7_665
O2 V1 O1B 113.8(7) . 8
O1B V1 O1B 123.0(14) 5_655 8
O1B V1 O1B 104.8(8) 9_655 8
O1B V1 O1B 25.5(15) 4 8
O1B V1 O1B 104.8(8) 7_665 8
O2 V1 O1B 113.8(7) . 6_665
O1B V1 O1B 104.8(8) 5_655 6_665
O1B V1 O1B 123.0(14) 9_655 6_665
O1B V1 O1B 104.8(8) 4 6_665
O1B V1 O1B 25.5(15) 7_665 6_665
O1B V1 O1B 82.4(15) 8 6_665
O2 V1 O1A 105.9(7) . 5_655
O1B V1 O1A 25.5(5) 5_655 5_655
O1B V1 O1A 8.2(11) 9_655 5_655
O1B V1 O1A 87.3(5) 4 5_655
O1B V1 O1A 107.6(12) 7_665 5_655
O1B V1 O1A 110.9(12) 8 5_655
O1B V1 O1A 128.1(5) 6_665 5_655
O2 V1 O1A 105.9(7) . 9_655
O1B V1 O1A 8.2(11) 5_655 9_655
O1B V1 O1A 25.5(5) 9_655 9_655
O1B V1 O1A 107.6(12) 4 9_655
O1B V1 O1A 87.3(5) 7_665 9_655
O1B V1 O1A 128.1(5) 8 9_655
O1B V1 O1A 110.9(12) 6_665 9_655
O1A V1 O1A 22.9(13) 5_655 9_655
O2 V1 O1A 105.9(7) . 8
O1B V1 O1A 110.9(12) 5_655 8
O1B V1 O1A 87.3(5) 9_655 8
O1B V1 O1A 8.2(11) 4 8
O1B V1 O1A 128.1(5) 7_665 8
O1B V1 O1A 25.5(5) 8 8
O1B V1 O1A 107.6(12) 6_665 8
O1A V1 O1A 91.4(13) 5_655 8
O1A V1 O1A 112.8(6) 9_655 8
O2 V1 O1A 105.9(7) . 6_665
O1B V1 O1A 87.3(5) 5_655 6_665
O1B V1 O1A 110.9(12) 9_655 6_665
O1B V1 O1A 128.1(5) 4 6_665
O1B V1 O1A 8.2(11) 7_665 6_665
O1B V1 O1A 107.6(12) 8 6_665
O1B V1 O1A 25.5(5) 6_665 6_665
O1A V1 O1A 112.8(6) 5_655 6_665
O1A V1 O1A 91.4(13) 9_655 6_665
O1A V1 O1A 132.2(13) 8 6_665
O2 V1 O1A 105.9(7) . 4
O1B V1 O1A 128.1(5) 5_655 4
O1B V1 O1A 107.6(12) 9_655 4
O1B V1 O1A 25.5(5) 4 4
O1B V1 O1A 110.9(12) 7_665 4
O1B V1 O1A 8.2(11) 8 4
O1B V1 O1A 87.3(5) 6_665 4
O1A V1 O1A 112.8(6) 5_655 4
O1A V1 O1A 132.2(13) 9_655 4
O1A V1 O1A 22.9(13) 8 4
O1A V1 O1A 112.8(6) 6_665 4
V1 O2 Na1 180.000(1) . 7_666
V1 O2 Ba1 89.72(15) . 1_655
Na1 O2 Ba1 90.28(15) 7_666 1_655
V1 O2 Ba1 89.72(15) . .
Na1 O2 Ba1 90.28(15) 7_666 .
Ba1 O2 Ba1 119.998(3) 1_655 .
V1 O2 Ba1 89.72(15) . 1_665
Na1 O2 Ba1 90.28(15) 7_666 1_665
Ba1 O2 Ba1 119.998(3) 1_655 1_665
Ba1 O2 Ba1 119.998(3) . 1_665
O1A Ba1 O1A 180.000(1) 1_556 7
O1A Ba1 O1A 14.7(8) 1_556 12_556
O1A Ba1 O1A 165.3(8) 7 12_556
O1A Ba1 O1A 165.3(8) 1_556 6
O1A Ba1 O1A 14.7(8) 7 6
O1A Ba1 O1A 180.000(1) 12_556 6
O1A Ba1 O1A 53.5(8) 1_556 11_556
O1A Ba1 O1A 126.5(8) 7 11_556
O1A Ba1 O1A 63.5(7) 12_556 11_556
O1A Ba1 O1A 116.5(7) 6 11_556
O1A Ba1 O1A 126.5(8) 1_556 5
O1A Ba1 O1A 53.5(8) 7 5
O1A Ba1 O1A 116.5(7) 12_556 5
O1A Ba1 O1A 63.5(7) 6 5
O1A Ba1 O1A 180.000(1) 11_556 5
O1A Ba1 O1A 116.5(7) 1_556 9
O1A Ba1 O1A 63.5(7) 7 9
O1A Ba1 O1A 109.4(8) 12_556 9
O1A Ba1 O1A 70.6(8) 6 9
O1A Ba1 O1A 165.3(9) 11_556 9
O1A Ba1 O1A 14.7(8) 5 9
O1A Ba1 O1A 63.5(7) 1_556 3_556
O1A Ba1 O1A 116.5(7) 7 3_556
O1A Ba1 O1A 70.6(8) 12_556 3_556
O1A Ba1 O1A 109.4(8) 6 3_556
O1A Ba1 O1A 14.7(9) 11_556 3_556
O1A Ba1 O1A 165.3(9) 5 3_556
O1A Ba1 O1A 180.000(3) 9 3_556
O1A Ba1 O1A 63.5(7) 1_556 2_556
O1A Ba1 O1A 116.5(7) 7 2_556
O1A Ba1 O1A 53.5(8) 12_556 2_556
O1A Ba1 O1A 126.5(9) 6 2_556
O1A Ba1 O1A 70.6(8) 11_556 2_556
O1A Ba1 O1A 109.4(8) 5 2_556
O1A Ba1 O1A 116.5(7) 9 2_556
O1A Ba1 O1A 63.5(7) 3_556 2_556
O1A Ba1 O1A 70.6(8) 1_556 10_556
O1A Ba1 O1A 109.4(8) 7 10_556
O1A Ba1 O1A 63.5(7) 12_556 10_556
O1A Ba1 O1A 116.5(7) 6 10_556
O1A Ba1 O1A 63.5(7) 11_556 10_556
O1A Ba1 O1A 116.5(7) 5 10_556
O1A Ba1 O1A 126.5(8) 9 10_556
O1A Ba1 O1A 53.5(8) 3_556 10_556
O1A Ba1 O1A 14.7(8) 2_556 10_556
O1A Ba1 O1A 109.4(8) 1_556 4
O1A Ba1 O1A 70.6(8) 7 4
O1A Ba1 O1A 116.5(7) 12_556 4
O1A Ba1 O1A 63.5(7) 6 4
O1A Ba1 O1A 116.5(7) 11_556 4
O1A Ba1 O1A 63.5(7) 5 4
O1A Ba1 O1A 53.5(8) 9 4
O1A Ba1 O1A 126.5(8) 3_556 4
O1A Ba1 O1A 165.3(8) 2_556 4
O1A Ba1 O1A 180.000(1) 10_556 4
O1A Ba1 O1A 116.5(7) 1_556 8
O1A Ba1 O1A 63.5(7) 7 8
O1A Ba1 O1A 126.5(9) 12_556 8
O1A Ba1 O1A 53.5(8) 6 8
O1A Ba1 O1A 109.4(8) 11_556 8
O1A Ba1 O1A 70.6(8) 5 8
O1A Ba1 O1A 63.5(7) 9 8
O1A Ba1 O1A 116.5(7) 3_556 8
O1A Ba1 O1A 180.000(1) 2_556 8
O1A Ba1 O1A 165.3(8) 10_556 8
O1A Ba1 O1A 14.7(8) 4 8
O2 Na1 O1B 90.0(5) 7_666 4_565
O2 Na1 O1B 90.0(5) 7_666 7_565
O1B Na1 O1B 64.7(11) 4_565 7_565
O2 Na1 O1B 90.0(5) 7_666 9_665
O1B Na1 O1B 55.3(11) 4_565 9_665
O1B Na1 O1B 120.000(3) 7_565 9_665
O2 Na1 O1B 90.0(5) 7_666 5
O1B Na1 O1B 120.000(5) 4_565 5
O1B Na1 O1B 55.3(11) 7_565 5
O1B Na1 O1B 175.3(11) 9_665 5
O2 Na1 O1B 90.0(5) 7_666 8
O1B Na1 O1B 175.3(11) 4_565 8
O1B Na1 O1B 120.000(7) 7_565 8
O1B Na1 O1B 120.000(6) 9_665 8
O1B Na1 O1B 64.7(11) 5 8
O2 Na1 O1B 90.0(5) 7_666 6_665
O1B Na1 O1B 120.000(7) 4_565 6_665
O1B Na1 O1B 175.3(11) 7_565 6_665
O1B Na1 O1B 64.7(11) 9_665 6_665
O1B Na1 O1B 120.000(3) 5 6_665
O1B Na1 O1B 55.3(11) 8 6_665
O2 Na1 O1A 84.9(5) 7_666 6_565
O1B Na1 O1A 62.1(4) 4_565 6_565
O1B Na1 O1A 5.7(8) 7_565 6_565
O1B Na1 O1A 117.1(10) 9_665 6_565
O1B Na1 O1A 58.1(4) 5 6_565
O1B Na1 O1A 122.6(10) 8 6_565
O1B Na1 O1A 174.5(5) 6_665 6_565
O2 Na1 O1A 84.9(5) 7_666 8_565
O1B Na1 O1A 5.7(8) 4_565 8_565
O1B Na1 O1A 62.1(4) 7_565 8_565
O1B Na1 O1A 58.1(4) 9_665 8_565
O1B Na1 O1A 117.1(10) 5 8_565
O1B Na1 O1A 174.5(5) 8 8_565
O1B Na1 O1A 122.6(10) 6_665 8_565
O1A Na1 O1A 59.0(10) 6_565 8_565
O2 Na1 O1A 84.9(5) 7_666 5_665
O1B Na1 O1A 58.1(4) 4_565 5_665
O1B Na1 O1A 122.6(10) 7_565 5_665
O1B Na1 O1A 5.7(8) 9_665 5_665
O1B Na1 O1A 174.5(5) 5 5_665
O1B Na1 O1A 117.1(10) 8 5_665
O1B Na1 O1A 62.1(4) 6_665 5_665
O1A Na1 O1A 119.22(14) 6_565 5_665
O1A Na1 O1A 60.5(10) 8_565 5_665
O2 Na1 O1A 84.9(5) 7_666 9
O1B Na1 O1A 122.6(10) 4_565 9
O1B Na1 O1A 58.1(4) 7_565 9
O1B Na1 O1A 174.5(5) 9_665 9
O1B Na1 O1A 5.7(8) 5 9
O1B Na1 O1A 62.1(4) 8 9
O1B Na1 O1A 117.1(10) 6_665 9
O1A Na1 O1A 60.5(10) 6_565 9
O1A Na1 O1A 119.22(14) 8_565 9
O1A Na1 O1A 169.8(9) 5_665 9
O2 Na1 O1A 84.9(5) 7_666 7_665
O1B Na1 O1A 117.1(10) 4_565 7_665
O1B Na1 O1A 174.5(5) 7_565 7_665
O1B Na1 O1A 62.1(4) 9_665 7_665
O1B Na1 O1A 122.6(10) 5 7_665
O1B Na1 O1A 58.1(4) 8 7_665
O1B Na1 O1A 5.7(8) 6_665 7_665
O1A Na1 O1A 169.8(9) 6_565 7_665
O1A Na1 O1A 119.22(14) 8_565 7_665
O1A Na1 O1A 59.0(10) 5_665 7_665
O1A Na1 O1A 119.22(14) 9 7_665
O1B O1A O1A 97(9) 12 12
O1B O1A O1B 79(10) 12 .
O1A O1A O1B 19(3) 12 .
O1B O1A V1 80(9) 12 7_665
O1A O1A V1 78.6(7) 12 7_665
O1B O1A V1 75(3) . 7_665
O1B O1A Mn1 78(9) 12 .
O1A O1A Mn1 80.9(5) 12 .
O1B O1A Mn1 77(3) . .
V1 O1A Mn1 147.1(12) 7_665 .
O1B O1A Na1 78(9) 12 7_665
O1A O1A Na1 174.9(5) 12 7_665
O1B O1A Na1 156(3) . 7_665
V1 O1A Na1 102.5(9) 7_665 7_665
Mn1 O1A Na1 95.9(7) . 7_665
O1B O1A Ba1 171(9) 12 1_554
O1A O1A Ba1 82.7(4) 12 1_554
O1B O1A Ba1 101(3) . 1_554
V1 O1A Ba1 108.4(8) 7_665 1_554
Mn1 O1A Ba1 94.0(7) . 1_554
Na1 O1A Ba1 101.6(7) 7_665 1_554
O1A O1B O1B 83(9) 12 12
O1A O1B O1A 64(9) 12 .
O1B O1B O1A 19(3) 12 .
O1A O1B V1 92(9) 12 7_665
O1B O1B V1 77.3(7) 12 7_665
O1A O1B V1 79(3) . 7_665
O1A O1B Mn1 96(9) 12 .
O1B O1B Mn1 79.9(6) 12 .
O1A O1B Mn1 83(3) . .
V1 O1B Mn1 154.7(13) 7_665 .
O1A O1B Na1 96(10) 12 7_565
O1B O1B Na1 177.6(5) 12 7_565
O1A O1B Na1 160(3) . 7_565
V1 O1B Na1 104.9(10) 7_665 7_565
Mn1 O1B Na1 98.2(8) . 7_565
O1A O1B Na1 165(10) 12 .
O1B O1B Na1 82.6(4) 12 .
O1A O1B Na1 101(3) . .
V1 O1B Na1 81.3(8) 7_665 .
Mn1 O1B Na1 85.0(6) . .
Na1 O1B Na1 98.6(7) 7_565 .
O1A O1B Ba1 8(9) 12 1_554
O1B O1B Ba1 82.6(4) 12 1_554
O1A O1B Ba1 64(3) . 1_554
V1 O1B Ba1 99.5(8) 7_665 1_554
Mn1 O1B Ba1 88.2(7) . 1_554
Na1 O1B Ba1 96.0(7) 7_565 1_554
Na1 O1B Ba1 164.6(9) . 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1B 2.14(2) 8
Mn1 O1B 2.14(2) 2
Mn1 O1B 2.14(2) 4
Mn1 O1B 2.14(2) 10
Mn1 O1B 2.14(2) 11
Mn1 O1B 2.14(2) 6
Mn1 O1B 2.14(2) 9
Mn1 O1B 2.14(2) 5
Mn1 O1B 2.14(2) 7
Mn1 O1B 2.14(2) 12
Mn1 O1B 2.14(2) .
Mn1 O1B 2.14(2) 3
V1 O2 1.682(9) .
V1 O1B 1.71(2) 5_655
V1 O1B 1.71(2) 9_655
V1 O1B 1.71(2) 4
V1 O1B 1.71(2) 7_665
V1 O1B 1.71(2) 8
V1 O1B 1.71(2) 6_665
V1 O1A 1.73(2) 5_655
V1 O1A 1.73(2) 9_655
V1 O1A 1.73(2) 8
V1 O1A 1.73(2) 6_665
V1 O1A 1.73(2) 4
O2 Na1 2.343(10) 7_666
O2 Ba1 3.2286(5) 1_655
O2 Ba1 3.2286(5) .
O2 Ba1 3.2286(5) 1_665
Ba1 O1A 2.69(2) 1_556
Ba1 O1A 2.69(2) 7
Ba1 O1A 2.69(2) 12_556
Ba1 O1A 2.69(2) 6
Ba1 O1A 2.69(2) 11_556
Ba1 O1A 2.69(2) 5
Ba1 O1A 2.69(2) 9
Ba1 O1A 2.69(2) 3_556
Ba1 O1A 2.69(2) 2_556
Ba1 O1A 2.69(2) 10_556
Ba1 O1A 2.69(2) 4
Ba1 O1A 2.69(2) 8
Na1 O2 2.343(10) 7_666
Na1 O1B 2.42(2) 4_565
Na1 O1B 2.42(2) 7_565
Na1 O1B 2.42(2) 9_665
Na1 O1B 2.42(2) 5
Na1 O1B 2.42(2) 8
Na1 O1B 2.42(2) 6_665
Na1 O1A 2.46(2) 6_565
Na1 O1A 2.46(2) 8_565
Na1 O1A 2.46(2) 5_665
Na1 O1A 2.46(2) 9
Na1 O1A 2.46(2) 7_665
O1A O1B 0.25(3) 12
O1A O1A 0.69(4) 12
O1A O1B 0.760(15) .
O1A V1 1.73(2) 7_665
O1A Na1 2.46(2) 7_665
O1A Ba1 2.69(2) 1_554
O1B O1A 0.25(3) 12
O1B O1B 0.75(4) 12
O1B V1 1.71(2) 7_665
O1B Na1 2.42(2) 7_565
O1B Ba1 2.94(2) 1_554
