#------------------------------------------------------------------------------
#$Date: 2021-04-08 11:40:11 +0300 (Thu, 08 Apr 2021) $
#$Revision: 263978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/15/1561563.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_1561563
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 K2 Mn O8 V2'
_chemical_formula_weight         500.36
_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                   5.7340(8)
_cell_length_b                   5.7340(8)
_cell_length_c                   7.3859(15)
_cell_measurement_reflns_used    1297
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0335
_cell_measurement_theta_min      2.7575
_cell_volume                     210.30(6)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0696
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1834
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         2.76
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.239
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB, CrystalClear'
_exptl_crystal_colour            yellow-green
_exptl_crystal_density_diffrn    3.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             229
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.243
_refine_ls_extinction_coef       0.229(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         185
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0224
_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)+(0.0344P)²+0.3025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0542
_reflns_number_gt                182
_reflns_number_total             185
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-236-61.cif
_cod_data_source_block           K2BaMnV2O8
_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               1561563
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-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
Ba1 Ba 0.0000 0.0000 0.0000 0.0196(4) Uani 1 12 d S . .
Mn1 Mn 0.0000 0.0000 0.5000 0.0088(5) Uani 1 12 d S . .
V1 V -0.3333 0.3333 -0.2319(2) 0.0074(4) Uani 1 6 d S . .
K1 K -0.3333 0.3333 0.3409(3) 0.0108(5) Uani 1 6 d S . .
O2 O -0.3333 0.3333 -0.0079(12) 0.0298(16) Uani 1 6 d S . .
O1 O -0.1702(4) 0.6596(7) -0.3124(4) 0.0142(8) 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'
K K 0.2009 0.2494 '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'
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
O1 Ba1 O1 180.00(8) 7_565 1_545
O1 Ba1 O1 61.57(11) 7_565 9_655
O1 Ba1 O1 118.43(11) 1_545 9_655
O1 Ba1 O1 61.57(11) 7_565 8_445
O1 Ba1 O1 118.43(11) 1_545 8_445
O1 Ba1 O1 61.57(11) 9_655 8_445
O1 Ba1 O1 118.43(11) 7_565 3_455
O1 Ba1 O1 61.57(11) 1_545 3_455
O1 Ba1 O1 180.00(11) 9_655 3_455
O1 Ba1 O1 118.43(11) 8_445 3_455
O1 Ba1 O1 118.43(11) 7_565 2_665
O1 Ba1 O1 61.57(11) 1_545 2_665
O1 Ba1 O1 118.43(11) 9_655 2_665
O1 Ba1 O1 180.00(14) 8_445 2_665
O1 Ba1 O1 61.57(11) 3_455 2_665
O1 Ba1 O2 73.66(14) 7_565 .
O1 Ba1 O2 106.34(14) 1_545 .
O1 Ba1 O2 127.24(17) 9_655 .
O1 Ba1 O2 73.66(14) 8_445 .
O1 Ba1 O2 52.76(17) 3_455 .
O1 Ba1 O2 106.34(14) 2_665 .
O1 Ba1 O2 106.34(14) 7_565 7
O1 Ba1 O2 73.66(14) 1_545 7
O1 Ba1 O2 52.76(17) 9_655 7
O1 Ba1 O2 106.34(14) 8_445 7
O1 Ba1 O2 127.24(17) 3_455 7
O1 Ba1 O2 73.66(14) 2_665 7
O2 Ba1 O2 180.0 . 7
O1 Ba1 O2 52.76(17) 7_565 7_565
O1 Ba1 O2 127.24(17) 1_545 7_565
O1 Ba1 O2 106.34(14) 9_655 7_565
O1 Ba1 O2 106.34(14) 8_445 7_565
O1 Ba1 O2 73.66(14) 3_455 7_565
O1 Ba1 O2 73.66(14) 2_665 7_565
O2 Ba1 O2 60.031(10) . 7_565
O2 Ba1 O2 119.969(10) 7 7_565
O1 Ba1 O2 127.24(17) 7_565 1_545
O1 Ba1 O2 52.76(17) 1_545 1_545
O1 Ba1 O2 73.66(14) 9_655 1_545
O1 Ba1 O2 73.66(14) 8_445 1_545
O1 Ba1 O2 106.34(14) 3_455 1_545
O1 Ba1 O2 106.34(14) 2_665 1_545
O2 Ba1 O2 119.969(10) . 1_545
O2 Ba1 O2 60.031(10) 7 1_545
O2 Ba1 O2 180.0 7_565 1_545
O1 Ba1 O2 106.34(14) 7_565 7_455
O1 Ba1 O2 73.66(14) 1_545 7_455
O1 Ba1 O2 106.34(14) 9_655 7_455
O1 Ba1 O2 52.76(17) 8_445 7_455
O1 Ba1 O2 73.66(14) 3_455 7_455
O1 Ba1 O2 127.24(17) 2_665 7_455
O2 Ba1 O2 60.031(10) . 7_455
O2 Ba1 O2 119.969(10) 7 7_455
O2 Ba1 O2 119.969(10) 7_565 7_455
O2 Ba1 O2 60.031(10) 1_545 7_455
O1 Ba1 O2 73.66(14) 7_565 1_655
O1 Ba1 O2 106.34(14) 1_545 1_655
O1 Ba1 O2 73.66(14) 9_655 1_655
O1 Ba1 O2 127.24(17) 8_445 1_655
O1 Ba1 O2 106.34(14) 3_455 1_655
O1 Ba1 O2 52.76(17) 2_665 1_655
O2 Ba1 O2 119.969(10) . 1_655
O2 Ba1 O2 60.031(10) 7 1_655
O2 Ba1 O2 60.031(10) 7_565 1_655
O2 Ba1 O2 119.969(10) 1_545 1_655
O2 Ba1 O2 180.0 7_455 1_655
O1 Mn1 O1 180.0 2_666 8_445
O1 Mn1 O1 84.10(13) 2_666 1_546
O1 Mn1 O1 95.90(13) 8_445 1_546
O1 Mn1 O1 84.10(13) 2_666 3_456
O1 Mn1 O1 95.90(13) 8_445 3_456
O1 Mn1 O1 84.10(13) 1_546 3_456
O1 Mn1 O1 95.90(13) 2_666 7_565
O1 Mn1 O1 84.10(13) 8_445 7_565
O1 Mn1 O1 180.0 1_546 7_565
O1 Mn1 O1 95.90(13) 3_456 7_565
O1 Mn1 O1 95.90(13) 2_666 9_655
O1 Mn1 O1 84.10(13) 8_445 9_655
O1 Mn1 O1 95.90(13) 1_546 9_655
O1 Mn1 O1 180.00(13) 3_456 9_655
O1 Mn1 O1 84.10(13) 7_565 9_655
O1 Mn1 K1 54.80(2) 2_666 7_556
O1 Mn1 K1 125.20(2) 8_445 7_556
O1 Mn1 K1 54.80(2) 1_546 7_556
O1 Mn1 K1 121.12(9) 3_456 7_556
O1 Mn1 K1 125.20(2) 7_565 7_556
O1 Mn1 K1 58.88(9) 9_655 7_556
O1 Mn1 K1 125.20(2) 2_666 .
O1 Mn1 K1 54.80(2) 8_445 .
O1 Mn1 K1 125.20(2) 1_546 .
O1 Mn1 K1 58.88(9) 3_456 .
O1 Mn1 K1 54.80(2) 7_565 .
O1 Mn1 K1 121.12(9) 9_655 .
K1 Mn1 K1 180.0 7_556 .
O1 Mn1 K1 54.80(2) 2_666 7_566
O1 Mn1 K1 125.20(2) 8_445 7_566
O1 Mn1 K1 121.12(9) 1_546 7_566
O1 Mn1 K1 54.80(2) 3_456 7_566
O1 Mn1 K1 58.88(9) 7_565 7_566
O1 Mn1 K1 125.20(2) 9_655 7_566
K1 Mn1 K1 109.40(4) 7_556 7_566
K1 Mn1 K1 70.60(4) . 7_566
O1 Mn1 K1 125.20(2) 2_666 1_545
O1 Mn1 K1 54.80(2) 8_445 1_545
O1 Mn1 K1 58.88(9) 1_546 1_545
O1 Mn1 K1 125.20(2) 3_456 1_545
O1 Mn1 K1 121.12(9) 7_565 1_545
O1 Mn1 K1 54.80(2) 9_655 1_545
K1 Mn1 K1 70.60(4) 7_556 1_545
K1 Mn1 K1 109.40(4) . 1_545
K1 Mn1 K1 180.0 7_566 1_545
O1 Mn1 K1 121.12(9) 2_666 7_456
O1 Mn1 K1 58.88(9) 8_445 7_456
O1 Mn1 K1 54.80(2) 1_546 7_456
O1 Mn1 K1 54.80(2) 3_456 7_456
O1 Mn1 K1 125.20(2) 7_565 7_456
O1 Mn1 K1 125.20(2) 9_655 7_456
K1 Mn1 K1 109.40(4) 7_556 7_456
K1 Mn1 K1 70.60(4) . 7_456
K1 Mn1 K1 109.40(4) 7_566 7_456
K1 Mn1 K1 70.60(4) 1_545 7_456
O1 Mn1 K1 58.88(9) 2_666 1_655
O1 Mn1 K1 121.12(9) 8_445 1_655
O1 Mn1 K1 125.20(2) 1_546 1_655
O1 Mn1 K1 125.20(2) 3_456 1_655
O1 Mn1 K1 54.80(2) 7_565 1_655
O1 Mn1 K1 54.80(2) 9_655 1_655
K1 Mn1 K1 70.60(4) 7_556 1_655
K1 Mn1 K1 109.40(4) . 1_655
K1 Mn1 K1 70.60(4) 7_566 1_655
K1 Mn1 K1 109.40(4) 1_545 1_655
K1 Mn1 K1 180.0 7_456 1_655
O2 V1 O1 110.16(12) . 3_455
O2 V1 O1 110.16(12) . 2_565
O1 V1 O1 108.77(12) 3_455 2_565
O2 V1 O1 110.16(12) . .
O1 V1 O1 108.77(12) 3_455 .
O1 V1 O1 108.77(12) 2_565 .
O2 V1 K1 180.0 . 1_554
O1 V1 K1 69.84(12) 3_455 1_554
O1 V1 K1 69.84(12) 2_565 1_554
O1 V1 K1 69.84(12) . 1_554
O2 V1 K1 103.67(4) . 7_455
O1 V1 K1 57.484(15) 3_455 7_455
O1 V1 K1 57.484(15) 2_565 7_455
O1 V1 K1 146.16(13) . 7_455
K1 V1 K1 76.33(4) 1_554 7_455
O2 V1 K1 103.67(4) . 7_565
O1 V1 K1 57.484(15) 3_455 7_565
O1 V1 K1 146.16(13) 2_565 7_565
O1 V1 K1 57.484(15) . 7_565
K1 V1 K1 76.33(4) 1_554 7_565
K1 V1 K1 114.59(3) 7_455 7_565
O2 V1 K1 103.67(4) . 7_465
O1 V1 K1 146.16(13) 3_455 7_465
O1 V1 K1 57.484(15) 2_565 7_465
O1 V1 K1 57.484(15) . 7_465
K1 V1 K1 76.33(4) 1_554 7_465
K1 V1 K1 114.59(3) 7_455 7_465
K1 V1 K1 114.59(3) 7_565 7_465
O2 V1 Ba1 62.65(2) . .
O1 V1 Ba1 47.52(11) 3_455 .
O1 V1 Ba1 125.12(4) 2_565 .
O1 V1 Ba1 125.12(4) . .
K1 V1 Ba1 117.35(2) 1_554 .
K1 V1 Ba1 71.16(2) 7_455 .
K1 V1 Ba1 71.16(2) 7_565 .
K1 V1 Ba1 166.32(6) 7_465 .
O2 V1 Ba1 62.65(2) . 1_565
O1 V1 Ba1 125.12(4) 3_455 1_565
O1 V1 Ba1 125.12(4) 2_565 1_565
O1 V1 Ba1 47.52(11) . 1_565
K1 V1 Ba1 117.35(2) 1_554 1_565
K1 V1 Ba1 166.32(6) 7_455 1_565
K1 V1 Ba1 71.16(2) 7_565 1_565
K1 V1 Ba1 71.16(2) 7_465 1_565
Ba1 V1 Ba1 100.57(3) . 1_565
O2 V1 Ba1 62.65(2) . 1_455
O1 V1 Ba1 125.12(4) 3_455 1_455
O1 V1 Ba1 47.52(11) 2_565 1_455
O1 V1 Ba1 125.12(4) . 1_455
K1 V1 Ba1 117.35(2) 1_554 1_455
K1 V1 Ba1 71.16(2) 7_455 1_455
K1 V1 Ba1 166.32(6) 7_565 1_455
K1 V1 Ba1 71.16(2) 7_465 1_455
Ba1 V1 Ba1 100.57(3) . 1_455
Ba1 V1 Ba1 100.57(3) 1_565 1_455
O2 K1 O1 85.80(8) . 9
O2 K1 O1 85.80(8) . 7_565
O1 K1 O1 119.47(2) 9 7_565
O2 K1 O1 85.80(8) . 8_445
O1 K1 O1 58.42(14) 9 8_445
O1 K1 O1 61.23(14) 7_565 8_445
O2 K1 O1 85.80(8) . 8_455
O1 K1 O1 119.47(2) 9 8_455
O1 K1 O1 119.47(2) 7_565 8_455
O1 K1 O1 171.48(17) 8_445 8_455
O2 K1 O1 85.80(8) . 9_665
O1 K1 O1 171.48(17) 9 9_665
O1 K1 O1 58.42(14) 7_565 9_665
O1 K1 O1 119.47(2) 8_445 9_665
O1 K1 O1 61.23(14) 8_455 9_665
O2 K1 O1 85.80(8) . 7_465
O1 K1 O1 61.23(14) 9 7_465
O1 K1 O1 171.48(17) 7_565 7_465
O1 K1 O1 119.47(2) 8_445 7_465
O1 K1 O1 58.42(14) 8_455 7_465
O1 K1 O1 119.47(2) 9_665 7_465
O2 K1 O1 147.68(7) . 3_456
O1 K1 O1 93.17(8) 9 3_456
O1 K1 O1 66.64(12) 7_565 3_456
O1 K1 O1 66.64(11) 8_445 3_456
O1 K1 O1 121.80(8) 8_455 3_456
O1 K1 O1 93.17(8) 9_665 3_456
O1 K1 O1 121.80(8) 7_465 3_456
O2 K1 O1 147.68(7) . 1_556
O1 K1 O1 121.80(8) 9 1_556
O1 K1 O1 93.17(8) 7_565 1_556
O1 K1 O1 121.80(8) 8_445 1_556
O1 K1 O1 66.64(12) 8_455 1_556
O1 K1 O1 66.64(12) 9_665 1_556
O1 K1 O1 93.17(8) 7_465 1_556
O1 K1 O1 55.16(11) 3_456 1_556
O2 K1 O1 147.68(7) . 2_566
O1 K1 O1 66.64(12) 9 2_566
O1 K1 O1 121.80(8) 7_565 2_566
O1 K1 O1 93.17(8) 8_445 2_566
O1 K1 O1 93.17(8) 8_455 2_566
O1 K1 O1 121.80(8) 9_665 2_566
O1 K1 O1 66.64(12) 7_465 2_566
O1 K1 O1 55.16(11) 3_456 2_566
O1 K1 O1 55.16(11) 1_556 2_566
O2 K1 V1 180.0 . 1_556
O1 K1 V1 94.20(8) 9 1_556
O1 K1 V1 94.20(8) 7_565 1_556
O1 K1 V1 94.20(8) 8_445 1_556
O1 K1 V1 94.20(8) 8_455 1_556
O1 K1 V1 94.20(8) 9_665 1_556
O1 K1 V1 94.20(8) 7_465 1_556
O1 K1 V1 32.32(7) 3_456 1_556
O1 K1 V1 32.32(7) 1_556 1_556
O1 K1 V1 32.32(7) 2_566 1_556
O2 K1 V1 76.33(4) . 7_455
O1 K1 V1 30.41(7) 9 7_455
O1 K1 V1 89.69(7) 7_565 7_455
O1 K1 V1 30.41(7) 8_445 7_455
O1 K1 V1 144.68(8) 8_455 7_455
O1 K1 V1 144.68(8) 9_665 7_455
O1 K1 V1 89.69(7) 7_465 7_455
O1 K1 V1 86.56(5) 3_456 7_455
O1 K1 V1 135.99(9) 1_556 7_455
O1 K1 V1 86.56(5) 2_566 7_455
V1 K1 V1 103.67(4) 1_556 7_455
V1 O2 K1 180.0 . .
V1 O2 Ba1 91.01(16) . .
K1 O2 Ba1 88.99(16) . .
V1 O2 Ba1 91.01(16) . 1_565
K1 O2 Ba1 88.99(16) . 1_565
Ba1 O2 Ba1 119.969(10) . 1_565
V1 O2 Ba1 91.01(16) . 1_455
K1 O2 Ba1 88.99(16) . 1_455
Ba1 O2 Ba1 119.969(10) . 1_455
Ba1 O2 Ba1 119.969(10) 1_565 1_455
V1 O1 Mn1 160.8(2) . 1_564
V1 O1 Ba1 106.06(15) . 1_565
Mn1 O1 Ba1 93.11(12) 1_564 1_565
V1 O1 K1 92.11(7) . 7_565
Mn1 O1 K1 86.80(8) 1_564 7_565
Ba1 O1 K1 92.97(8) 1_565 7_565
V1 O1 K1 92.11(7) . 7_465
Mn1 O1 K1 86.80(8) 1_564 7_465
Ba1 O1 K1 92.97(8) 1_565 7_465
K1 O1 K1 171.48(17) 7_565 7_465
V1 O1 K1 77.84(14) . 1_554
Mn1 O1 K1 82.98(10) 1_564 1_554
Ba1 O1 K1 176.09(13) 1_565 1_554
K1 O1 K1 86.83(8) 7_565 1_554
K1 O1 K1 86.83(8) 7_465 1_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 O1 2.860(3) 7_565
Ba1 O1 2.860(3) 1_545
Ba1 O1 2.860(3) 9_655
Ba1 O1 2.860(3) 8_445
Ba1 O1 2.860(3) 3_455
Ba1 O1 2.860(3) 2_665
Ba1 O2 3.3110(5) .
Ba1 O2 3.3110(5) 7
Ba1 O2 3.3110(5) 7_565
Ba1 O2 3.3110(5) 1_545
Ba1 O2 3.3110(5) 7_455
Ba1 O2 3.3110(5) 1_655
Mn1 O1 2.186(3) 2_666
Mn1 O1 2.186(3) 8_445
Mn1 O1 2.186(3) 1_546
Mn1 O1 2.186(3) 3_456
Mn1 O1 2.186(3) 7_565
Mn1 O1 2.186(3) 9_655
Mn1 K1 3.5129(9) 7_556
Mn1 K1 3.5129(9) .
Mn1 K1 3.5129(9) 7_566
Mn1 K1 3.5129(9) 1_545
Mn1 K1 3.5129(9) 7_456
Mn1 K1 3.5129(9) 1_655
V1 O2 1.654(9) .
V1 O1 1.726(4) 3_455
V1 O1 1.726(4) 2_565
V1 O1 1.726(4) .
V1 K1 3.156(3) 1_554
V1 K1 3.4071(8) 7_455
V1 K1 3.4071(8) 7_565
V1 K1 3.4071(8) 7_465
V1 Ba1 3.7272(9) 1_565
V1 Ba1 3.7272(9) 1_455
K1 O2 2.576(10) .
K1 O1 2.875(3) 9
K1 O1 2.875(3) 7_565
K1 O1 2.875(4) 8_445
K1 O1 2.875(4) 8_455
K1 O1 2.875(3) 9_665
K1 O1 2.875(3) 7_465
K1 O1 3.030(4) 3_456
K1 O1 3.030(4) 1_556
K1 O1 3.030(4) 2_566
K1 V1 3.156(3) 1_556
K1 V1 3.4071(8) 7_455
O2 Ba1 3.3110(5) 1_565
O2 Ba1 3.3110(5) 1_455
O1 Mn1 2.186(3) 1_564
O1 Ba1 2.860(3) 1_565
O1 K1 2.875(3) 7_565
O1 K1 2.875(3) 7_465
O1 K1 3.030(4) 1_554
