#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/36/4343622.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_4343622
loop_
_publ_author_name
'Sanjeewa, Liurukara D.'
'McGuire, Michael A.'
'Garlea, Vasile O.'
'Hu, Longyu'
'Chumanov, George'
'McMillen, Colin D.'
'Kolis, Joseph W.'
_publ_section_title
;
 Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type
 Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and
 Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7014
_journal_page_last               7020
_journal_paper_doi               10.1021/acs.inorgchem.5b01037
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Ba2 H Mn O9 V2'
_chemical_formula_weight         576.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.8709(16)
_cell_length_b                   6.1841(12)
_cell_length_c                   9.0589(18)
_cell_measurement_reflns_used    3427
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      2.43
_cell_volume                     407.87(17)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0156
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3427
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.43
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.246
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB,RIGAKU/MSC,The Woodlands,TX,USA,1999.'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.840
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       0.0031(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     83
_refine_ls_number_reflns         791
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0175
_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)+(0.0204P)²+2.0732P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0406
_refine_ls_wR_factor_ref         0.0413
_reflns_number_gt                750
_reflns_number_total             791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01037_si_001.cif
_cod_data_source_block           Ba2HMnO9V2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343620--4343623.cif.
;
_cod_original_cell_volume        407.88(14)
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               4343622
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ba1 Ba 0.67989(4) 0.2500 0.59259(4) 0.01123(13) Uani 1 2 d S
Ba2 Ba 0.26500(5) 0.2500 0.76024(4) 0.01438(13) Uani 1 2 d S
Mn Mn 1.0000 0.0000 1.0000 0.00845(19) Uani 1 2 d S
V1 V 0.95207(12) -0.2500 0.66895(11) 0.0082(2) Uani 1 2 d S
V2 V 0.44840(12) 0.2500 0.17545(10) 0.0084(2) Uani 1 2 d S
O1 O 0.9940(4) -0.0110(4) 0.7851(3) 0.0116(6) Uani 1 1 d .
O2 O 0.5057(4) 0.0301(5) 0.2965(3) 0.0143(6) Uani 1 1 d .
O3 O 0.2120(5) 0.2500 0.0510(5) 0.0119(8) Uani 1 2 d S
O4 O 0.7331(5) -0.2500 0.5467(5) 0.0168(9) Uani 1 2 d S
O5 O 0.8361(5) 0.2500 0.9369(4) 0.0073(8) Uani 1 2 d SDU
H5 H 0.754(7) 0.2500 0.981(8) 0.020(18) Uiso 1 2 d SD
O6 O 1.0739(6) -0.2500 0.5548(5) 0.0210(10) Uani 1 2 d S
O7 O 0.5678(6) 0.2500 0.0560(5) 0.0225(10) Uani 1 2 d S
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'
V V 0.3005 0.5294 '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'
Ba Ba -0.3244 2.2819 '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
O2 Ba1 O2 80.02(12) 3_656 2_656
O2 Ba1 O6 139.99(6) 3_656 3_756
O2 Ba1 O6 139.99(6) 2_656 3_756
O2 Ba1 O2 84.79(9) 3_656 .
O2 Ba1 O2 121.49(5) 2_656 .
O6 Ba1 O2 73.61(10) 3_756 .
O2 Ba1 O2 121.49(5) 3_656 4_565
O2 Ba1 O2 84.79(8) 2_656 4_565
O6 Ba1 O2 73.61(10) 3_756 4_565
O2 Ba1 O2 56.97(12) . 4_565
O2 Ba1 O5 70.46(8) 3_656 .
O2 Ba1 O5 70.46(8) 2_656 .
O6 Ba1 O5 115.92(12) 3_756 .
O2 Ba1 O5 150.69(6) . .
O2 Ba1 O5 150.69(6) 4_565 .
O2 Ba1 O1 126.16(8) 3_656 4_565
O2 Ba1 O1 82.97(8) 2_656 4_565
O6 Ba1 O1 72.25(9) 3_756 4_565
O2 Ba1 O1 145.39(8) . 4_565
O2 Ba1 O1 107.12(8) 4_565 4_565
O5 Ba1 O1 55.71(8) . 4_565
O2 Ba1 O1 82.97(8) 3_656 .
O2 Ba1 O1 126.16(8) 2_656 .
O6 Ba1 O1 72.25(9) 3_756 .
O2 Ba1 O1 107.12(8) . .
O2 Ba1 O1 145.39(8) 4_565 .
O5 Ba1 O1 55.71(8) . .
O1 Ba1 O1 67.31(11) 4_565 .
O2 Ba1 O4 60.24(8) 3_656 3_656
O2 Ba1 O4 60.24(8) 2_656 3_656
O6 Ba1 O4 130.37(12) 3_756 3_656
O2 Ba1 O4 63.16(9) . 3_656
O2 Ba1 O4 63.16(9) 4_565 3_656
O5 Ba1 O4 113.71(11) . 3_656
O1 Ba1 O4 141.96(6) 4_565 3_656
O1 Ba1 O4 141.96(6) . 3_656
O2 Ba1 O4 142.53(9) 3_656 1_565
O2 Ba1 O4 62.55(10) 2_656 1_565
O6 Ba1 O4 77.46(7) 3_756 1_565
O2 Ba1 O4 112.47(9) . 1_565
O2 Ba1 O4 56.73(9) 4_565 1_565
O5 Ba1 O4 96.81(7) . 1_565
O1 Ba1 O4 54.09(9) 4_565 1_565
O1 Ba1 O4 119.67(9) . 1_565
O4 Ba1 O4 96.92(7) 3_656 1_565
O2 Ba1 O4 62.55(10) 3_656 .
O2 Ba1 O4 142.53(9) 2_656 .
O6 Ba1 O4 77.46(7) 3_756 .
O2 Ba1 O4 56.73(9) . .
O2 Ba1 O4 112.47(9) 4_565 .
O5 Ba1 O4 96.81(7) . .
O1 Ba1 O4 119.67(9) 4_565 .
O1 Ba1 O4 54.09(9) . .
O4 Ba1 O4 96.92(7) 3_656 .
O4 Ba1 O4 154.73(15) 1_565 .
O2 Ba1 V2 105.53(6) 3_656 .
O2 Ba1 V2 105.53(6) 2_656 .
O6 Ba1 V2 69.51(10) 3_756 .
O2 Ba1 V2 28.54(6) . .
O2 Ba1 V2 28.54(6) 4_565 .
O5 Ba1 V2 174.57(7) . .
O1 Ba1 V2 128.23(6) 4_565 .
O1 Ba1 V2 128.23(6) . .
O4 Ba1 V2 60.85(8) 3_656 .
O4 Ba1 V2 84.22(7) 1_565 .
O4 Ba1 V2 84.22(7) . .
O2 Ba2 O2 80.23(12) 2_656 3_656
O2 Ba2 O1 172.42(8) 2_656 1_455
O2 Ba2 O1 103.62(9) 3_656 1_455
O2 Ba2 O1 103.62(9) 2_656 4_465
O2 Ba2 O1 172.42(8) 3_656 4_465
O1 Ba2 O1 71.82(11) 1_455 4_465
O2 Ba2 O4 63.30(8) 2_656 3_656
O2 Ba2 O4 63.30(8) 3_656 3_656
O1 Ba2 O4 112.33(9) 1_455 3_656
O1 Ba2 O4 112.33(9) 4_465 3_656
O2 Ba2 O3 121.81(8) 2_656 1_556
O2 Ba2 O3 121.81(8) 3_656 1_556
O1 Ba2 O3 61.90(8) 1_455 1_556
O1 Ba2 O3 61.90(8) 4_465 1_556
O4 Ba2 O3 172.42(11) 3_656 1_556
O2 Ba2 O7 78.22(9) 2_656 1_556
O2 Ba2 O7 78.22(9) 3_656 1_556
O1 Ba2 O7 108.83(9) 1_455 1_556
O1 Ba2 O7 108.83(9) 4_465 1_556
O4 Ba2 O7 128.53(12) 3_656 1_556
O3 Ba2 O7 59.05(12) 1_556 1_556
O2 Ba2 O6 103.36(8) 2_656 3_656
O2 Ba2 O6 103.36(8) 3_656 3_656
O1 Ba2 O6 69.52(8) 1_455 3_656
O1 Ba2 O6 69.52(8) 4_465 3_656
O4 Ba2 O6 53.58(11) 3_656 3_656
O3 Ba2 O6 118.84(11) 1_556 3_656
O7 Ba2 O6 177.89(11) 1_556 3_656
O2 Ba2 V2 100.01(6) 2_656 1_556
O2 Ba2 V2 100.01(6) 3_656 1_556
O1 Ba2 V2 85.85(6) 1_455 1_556
O1 Ba2 V2 85.85(6) 4_465 1_556
O4 Ba2 V2 157.14(8) 3_656 1_556
O3 Ba2 V2 30.44(8) 1_556 1_556
O7 Ba2 V2 28.61(9) 1_556 1_556
O6 Ba2 V2 149.28(8) 3_656 1_556
O2 Ba2 V1 82.61(6) 2_656 3_656
O2 Ba2 V1 82.61(6) 3_656 3_656
O1 Ba2 V1 91.36(6) 1_455 3_656
O1 Ba2 V1 91.36(6) 4_465 3_656
O4 Ba2 V1 26.30(8) 3_656 3_656
O3 Ba2 V1 146.12(8) 1_556 3_656
O7 Ba2 V1 154.83(9) 1_556 3_656
O6 Ba2 V1 27.28(8) 3_656 3_656
V2 Ba2 V1 176.56(2) 1_556 3_656
O2 Ba2 V2 24.24(6) 2_656 3_666
O2 Ba2 V2 98.83(6) 3_656 3_666
O1 Ba2 V2 155.86(6) 1_455 3_666
O1 Ba2 V2 86.72(6) 4_465 3_666
O4 Ba2 V2 85.63(5) 3_656 3_666
O3 Ba2 V2 98.57(5) 1_556 3_666
O7 Ba2 V2 67.13(4) 1_556 3_666
O6 Ba2 V2 113.79(4) 3_656 3_666
V2 Ba2 V2 81.58(3) 1_556 3_666
V1 Ba2 V2 100.30(2) 3_656 3_666
O2 Ba2 V2 98.83(6) 2_656 3_656
O2 Ba2 V2 24.24(6) 3_656 3_656
O1 Ba2 V2 86.72(6) 1_455 3_656
O1 Ba2 V2 155.86(6) 4_465 3_656
O4 Ba2 V2 85.63(5) 3_656 3_656
O3 Ba2 V2 98.57(5) 1_556 3_656
O7 Ba2 V2 67.13(4) 1_556 3_656
O6 Ba2 V2 113.79(4) 3_656 3_656
V2 Ba2 V2 81.58(3) 1_556 3_656
V1 Ba2 V2 100.30(2) 3_656 3_656
V2 Ba2 V2 111.52(3) 3_666 3_656
O1 Mn O1 180.000(1) . 3_757
O1 Mn O5 91.58(13) . 3_757
O1 Mn O5 88.42(13) 3_757 3_757
O1 Mn O5 88.42(13) . .
O1 Mn O5 91.58(13) 3_757 .
O5 Mn O5 180.000(1) 3_757 .
O1 Mn O3 87.85(13) . 1_656
O1 Mn O3 92.15(13) 3_757 1_656
O5 Mn O3 97.54(11) 3_757 1_656
O5 Mn O3 82.46(11) . 1_656
O1 Mn O3 92.15(13) . 3_656
O1 Mn O3 87.85(13) 3_757 3_656
O5 Mn O3 82.46(11) 3_757 3_656
O5 Mn O3 97.54(11) . 3_656
O3 Mn O3 180.0 1_656 3_656
O1 Mn Mn 92.01(8) . 2_757
O1 Mn Mn 87.99(8) 3_757 2_757
O5 Mn Mn 142.27(8) 3_757 2_757
O5 Mn Mn 37.73(8) . 2_757
O3 Mn Mn 45.13(7) 1_656 2_757
O3 Mn Mn 134.87(7) 3_656 2_757
O1 Mn Mn 87.99(8) . 2_747
O1 Mn Mn 92.01(8) 3_757 2_747
O5 Mn Mn 37.73(8) 3_757 2_747
O5 Mn Mn 142.27(8) . 2_747
O3 Mn Mn 134.87(7) 1_656 2_747
O3 Mn Mn 45.13(7) 3_656 2_747
Mn Mn Mn 180.0 2_757 2_747
O1 Mn Ba2 42.11(8) . 1_655
O1 Mn Ba2 137.89(8) 3_757 1_655
O5 Mn Ba2 92.49(10) 3_757 1_655
O5 Mn Ba2 87.51(10) . 1_655
O3 Mn Ba2 45.98(10) 1_656 1_655
O3 Mn Ba2 134.02(10) 3_656 1_655
Mn Mn Ba2 66.390(6) 2_757 1_655
Mn Mn Ba2 113.610(7) 2_747 1_655
O1 Mn Ba2 137.89(8) . 3_657
O1 Mn Ba2 42.11(8) 3_757 3_657
O5 Mn Ba2 87.51(10) 3_757 3_657
O5 Mn Ba2 92.49(10) . 3_657
O3 Mn Ba2 134.02(10) 1_656 3_657
O3 Mn Ba2 45.98(10) 3_656 3_657
Mn Mn Ba2 113.610(7) 2_757 3_657
Mn Mn Ba2 66.390(7) 2_747 3_657
Ba2 Mn Ba2 180.0 1_655 3_657
O1 Mn Ba1 134.27(8) . 3_757
O1 Mn Ba1 45.73(8) 3_757 3_757
O5 Mn Ba1 45.13(10) 3_757 3_757
O5 Mn Ba1 134.87(10) . 3_757
O3 Mn Ba1 85.06(9) 1_656 3_757
O3 Mn Ba1 94.94(9) 3_656 3_757
Mn Mn Ba1 113.286(9) 2_757 3_757
Mn Mn Ba1 66.714(9) 2_747 3_757
Ba2 Mn Ba1 113.405(18) 1_655 3_757
Ba2 Mn Ba1 66.595(18) 3_657 3_757
O1 Mn Ba1 45.73(8) . .
O1 Mn Ba1 134.27(8) 3_757 .
O5 Mn Ba1 134.87(10) 3_757 .
O5 Mn Ba1 45.13(10) . .
O3 Mn Ba1 94.94(9) 1_656 .
O3 Mn Ba1 85.06(9) 3_656 .
Mn Mn Ba1 66.714(9) 2_757 .
Mn Mn Ba1 113.286(9) 2_747 .
Ba2 Mn Ba1 66.595(18) 1_655 .
Ba2 Mn Ba1 113.405(18) 3_657 .
Ba1 Mn Ba1 180.0 3_757 .
O6 V1 O4 106.5(2) . .
O6 V1 O1 110.47(12) . .
O4 V1 O1 107.98(11) . .
O6 V1 O1 110.47(12) . 4
O4 V1 O1 107.98(11) . 4
O1 V1 O1 113.14(18) . 4
O6 V1 Ba2 58.40(16) . 3_656
O4 V1 Ba2 48.14(14) . 3_656
O1 V1 Ba2 123.08(9) . 3_656
O1 V1 Ba2 123.08(9) 4 3_656
O6 V1 Ba1 108.48(8) . 1_545
O4 V1 Ba1 59.36(3) . 1_545
O1 V1 Ba1 141.05(9) . 1_545
O1 V1 Ba1 51.19(9) 4 1_545
Ba2 V1 Ba1 78.07(2) 3_656 1_545
O6 V1 Ba1 108.48(7) . .
O4 V1 Ba1 59.36(3) . .
O1 V1 Ba1 51.19(9) . .
O1 V1 Ba1 141.05(9) 4 .
Ba2 V1 Ba1 78.07(2) 3_656 .
Ba1 V1 Ba1 114.59(3) 1_545 .
O6 V1 Ba2 70.03(8) . 1_655
O4 V1 Ba2 124.24(4) . 1_655
O1 V1 Ba2 40.63(9) . 1_655
O1 V1 Ba2 125.75(10) 4 1_655
Ba2 V1 Ba2 103.57(3) 3_656 1_655
Ba1 V1 Ba2 176.26(2) 1_545 1_655
Ba1 V1 Ba2 69.119(19) . 1_655
O6 V1 Ba2 70.03(8) . 1_645
O4 V1 Ba2 124.24(4) . 1_645
O1 V1 Ba2 125.75(10) . 1_645
O1 V1 Ba2 40.63(9) 4 1_645
Ba2 V1 Ba2 103.57(3) 3_656 1_645
Ba1 V1 Ba2 69.119(19) 1_545 1_645
Ba1 V1 Ba2 176.26(2) . 1_645
Ba2 V1 Ba2 107.17(3) 1_655 1_645
O7 V2 O2 109.86(13) . 4_565
O7 V2 O2 109.86(13) . .
O2 V2 O2 106.5(2) 4_565 .
O7 V2 O3 107.4(2) . .
O2 V2 O3 111.61(12) 4_565 .
O2 V2 O3 111.61(12) . .
O7 V2 Ba2 53.69(15) . 1_554
O2 V2 Ba2 126.72(10) 4_565 1_554
O2 V2 Ba2 126.72(10) . 1_554
O3 V2 Ba2 53.70(13) . 1_554
O7 V2 Ba1 120.24(15) . .
O2 V2 Ba1 53.39(10) 4_565 .
O2 V2 Ba1 53.39(10) . .
O3 V2 Ba1 132.37(13) . .
Ba2 V2 Ba1 173.93(3) 1_554 .
O7 V2 Ba2 69.44(7) . 3_666
O2 V2 Ba2 40.56(10) 4_565 3_666
O2 V2 Ba2 124.43(10) . 3_666
O3 V2 Ba2 121.64(3) . 3_666
Ba2 V2 Ba2 98.42(3) 1_554 3_666
Ba1 V2 Ba2 78.29(2) . 3_666
O7 V2 Ba2 69.44(7) . 3_656
O2 V2 Ba2 124.43(10) 4_565 3_656
O2 V2 Ba2 40.56(10) . 3_656
O3 V2 Ba2 121.64(3) . 3_656
Ba2 V2 Ba2 98.42(3) 1_554 3_656
Ba1 V2 Ba2 78.29(2) . 3_656
Ba2 V2 Ba2 111.52(3) 3_666 3_656
V1 O1 Mn 123.79(15) . .
V1 O1 Ba2 114.59(12) . 1_655
Mn O1 Ba2 109.82(11) . 1_655
V1 O1 Ba1 100.52(11) . .
Mn O1 Ba1 105.93(11) . .
Ba2 O1 Ba1 97.71(9) 1_655 .
V2 O2 Ba2 115.20(13) . 3_656
V2 O2 Ba1 135.04(14) . 3_656
Ba2 O2 Ba1 98.95(9) 3_656 3_656
V2 O2 Ba1 98.07(12) . .
Ba2 O2 Ba1 111.68(10) 3_656 .
Ba1 O2 Ba1 95.21(8) 3_656 .
V2 O3 Mn 131.73(10) . 1_454
V2 O3 Mn 131.73(10) . 2_656
Mn O3 Mn 89.74(14) 1_454 2_656
V2 O3 Ba2 95.86(16) . 1_554
Mn O3 Ba2 100.03(12) 1_454 1_554
Mn O3 Ba2 100.03(12) 2_656 1_554
V1 O4 Ba2 105.56(19) . 3_656
V1 O4 Ba1 164.7(2) . 3_656
Ba2 O4 Ba1 89.78(11) 3_656 3_656
V1 O4 Ba1 93.90(8) . .
Ba2 O4 Ba1 100.49(7) 3_656 .
Ba1 O4 Ba1 83.08(7) 3_656 .
V1 O4 Ba1 93.90(8) . 1_545
Ba2 O4 Ba1 100.49(7) 3_656 1_545
Ba1 O4 Ba1 83.08(7) 3_656 1_545
Ba1 O4 Ba1 154.73(15) . 1_545
Mn O5 Mn 104.53(17) 2_757 .
Mn O5 Ba1 106.18(12) 2_757 .
Mn O5 Ba1 106.18(12) . .
V1 O6 Ba1 171.5(2) . 3_756
V1 O6 Ba2 94.33(18) . 3_656
Ba1 O6 Ba2 94.16(13) 3_756 3_656
V2 O7 Ba2 97.70(19) . 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 O2 2.694(3) 3_656
Ba1 O2 2.694(3) 2_656
Ba1 O6 2.739(4) 3_756
Ba1 O2 2.851(3) .
Ba1 O2 2.851(3) 4_565
Ba1 O5 2.886(4) .
Ba1 O1 2.912(3) 4_565
Ba1 O1 2.912(3) .
Ba1 O4 3.007(4) 3_656
Ba1 O4 3.1688(11) 1_565
Ba1 O4 3.1688(11) .
Ba1 V2 3.5168(15) .
Ba2 O2 2.688(3) 2_656
Ba2 O2 2.688(3) 3_656
Ba2 O1 2.752(3) 1_455
Ba2 O1 2.752(3) 4_465
Ba2 O4 2.786(4) 3_656
Ba2 O3 2.819(4) 1_556
Ba2 O7 2.829(5) 1_556
Ba2 O6 3.078(5) 3_656
Ba2 V2 3.4794(14) 1_556
Ba2 V1 3.6039(15) 3_656
Ba2 V2 3.7403(8) 3_666
Ba2 V2 3.7403(8) 3_656
Mn O1 1.930(3) .
Mn O1 1.930(3) 3_757
Mn O5 1.955(2) 3_757
Mn O5 1.955(2) .
Mn O3 2.191(3) 1_656
Mn O3 2.191(3) 3_656
Mn Mn 3.0921(6) 2_757
Mn Mn 3.0921(6) 2_747
Mn Ba2 3.8601(8) 1_655
Mn Ba2 3.8601(8) 3_657
Mn Ba1 3.9108(13) 3_757
V1 O6 1.656(4) .
V1 O4 1.658(4) .
V1 O1 1.771(3) .
V1 O1 1.771(3) 4
V1 Ba2 3.6039(15) 3_656
V1 Ba1 3.6746(8) 1_545
V1 Ba2 3.8424(8) 1_655
V1 Ba2 3.8424(8) 1_645
V2 O7 1.681(4) .
V2 O2 1.697(3) 4_565
V2 O2 1.697(3) .
V2 O3 1.772(4) .
V2 Ba2 3.4794(14) 1_554
V2 Ba2 3.7403(8) 3_666
V2 Ba2 3.7403(8) 3_656
O1 Ba2 2.752(3) 1_655
O2 Ba2 2.688(3) 3_656
O2 Ba1 2.694(3) 3_656
O3 Mn 2.191(3) 1_454
O3 Mn 2.191(3) 2_656
O3 Ba2 2.819(4) 1_554
O4 Ba2 2.786(4) 3_656
O4 Ba1 3.007(4) 3_656
O4 Ba1 3.1688(11) 1_545
O5 Mn 1.955(2) 2_757
O6 Ba1 2.739(4) 3_756
O6 Ba2 3.078(5) 3_656
O7 Ba2 2.829(5) 1_554
