The structure described by BaV2Mn2O8 crystallizes in the tetragonal I4_1/acd space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with four equivalent V(1)O4 tetrahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Mn(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 43-56°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_BaMn2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.088
_cell_length_b   10.088
_cell_length_c   10.088
_cell_angle_alpha   101.093
_cell_angle_beta   101.093
_cell_angle_gamma   127.966
_symmetry_Int_Tables_number   1
_cell_volume   727.443
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Ba  Ba3  1  0.250  0.750  0.500  1.0
  Mn  Mn4  1  0.668  0.168  0.835  1.0
  Mn  Mn5  1  0.418  0.082  0.000  1.0
  Mn  Mn6  1  0.082  0.418  0.000  1.0
  Mn  Mn7  1  0.332  0.832  0.165  1.0
  Mn  Mn8  1  0.582  0.582  0.665  1.0
  Mn  Mn9  1  0.832  0.668  0.500  1.0
  Mn  Mn10  1  0.168  0.332  0.500  1.0
  Mn  Mn11  1  0.918  0.918  0.335  1.0
  V  V12  1  0.375  0.705  0.830  1.0
  V  V13  1  0.955  0.625  0.830  1.0
  V  V14  1  0.795  0.125  0.170  1.0
  V  V15  1  0.875  0.545  0.170  1.0
  V  V16  1  0.875  0.045  0.670  1.0
  V  V17  1  0.295  0.125  0.670  1.0
  V  V18  1  0.455  0.625  0.330  1.0
  V  V19  1  0.375  0.205  0.330  1.0
  O  O20  1  0.875  0.537  0.341  1.0
  O  O21  1  0.196  0.534  0.659  1.0
  O  O22  1  0.787  0.946  0.162  1.0
  O  O23  1  0.784  0.625  0.838  1.0
  O  O24  1  0.554  0.713  0.838  1.0
  O  O25  1  0.963  0.625  0.659  1.0
  O  O26  1  0.966  0.304  0.341  1.0
  O  O27  1  0.875  0.716  0.162  1.0
  O  O28  1  0.375  0.213  0.159  1.0
  O  O29  1  0.054  0.216  0.841  1.0
  O  O30  1  0.463  0.804  0.338  1.0
  O  O31  1  0.466  0.125  0.662  1.0
  O  O32  1  0.696  0.037  0.662  1.0
  O  O33  1  0.287  0.125  0.841  1.0
  O  O34  1  0.284  0.446  0.159  1.0
  O  O35  1  0.375  0.034  0.338  1.0
  O  O36  1  0.078  0.601  0.165  1.0
  O  O37  1  0.436  0.912  0.835  1.0
  O  O38  1  0.851  0.186  0.023  1.0
  O  O39  1  0.162  0.828  0.977  1.0
  O  O40  1  0.578  0.412  0.477  1.0
  O  O41  1  0.662  0.686  0.335  1.0
  O  O42  1  0.351  0.328  0.665  1.0
  O  O43  1  0.936  0.101  0.523  1.0
  O  O44  1  0.088  0.922  0.523  1.0
  O  O45  1  0.399  0.564  0.477  1.0
  O  O46  1  0.814  0.838  0.665  1.0
  O  O47  1  0.172  0.149  0.335  1.0
  O  O48  1  0.672  0.338  0.023  1.0
  O  O49  1  0.588  0.064  0.165  1.0
  O  O50  1  0.899  0.422  0.835  1.0
  O  O51  1  0.314  0.649  0.977  1.0
[/CIF]
.
The structure described by BaV2Mn2O8 crystallizes in the tetragonal I4_1/acd space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with four equivalent V(1)O4 tetrahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Mn(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 43-56°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_BaMn2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.088
_cell_length_b   10.088
_cell_length_c   10.088
_cell_angle_alpha   101.093
_cell_angle_beta   101.093
_cell_angle_gamma   127.966
_symmetry_Int_Tables_number   1
_cell_volume   727.443
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ba  Ba1  1  0.750  0.250  0.500  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Ba  Ba3  1  0.250  0.750  0.500  1.0
  Mn  Mn4  1  0.668  0.168  0.835  1.0
  Mn  Mn5  1  0.418  0.082  0.000  1.0
  Mn  Mn6  1  0.082  0.418  0.000  1.0
  Mn  Mn7  1  0.332  0.832  0.165  1.0
  Mn  Mn8  1  0.582  0.582  0.665  1.0
  Mn  Mn9  1  0.832  0.668  0.500  1.0
  Mn  Mn10  1  0.168  0.332  0.500  1.0
  Mn  Mn11  1  0.918  0.918  0.335  1.0
  V  V12  1  0.375  0.705  0.830  1.0
  V  V13  1  0.955  0.625  0.830  1.0
  V  V14  1  0.795  0.125  0.170  1.0
  V  V15  1  0.875  0.545  0.170  1.0
  V  V16  1  0.875  0.045  0.670  1.0
  V  V17  1  0.295  0.125  0.670  1.0
  V  V18  1  0.455  0.625  0.330  1.0
  V  V19  1  0.375  0.205  0.330  1.0
  O  O20  1  0.875  0.537  0.341  1.0
  O  O21  1  0.196  0.534  0.659  1.0
  O  O22  1  0.787  0.946  0.162  1.0
  O  O23  1  0.784  0.625  0.838  1.0
  O  O24  1  0.554  0.713  0.838  1.0
  O  O25  1  0.963  0.625  0.659  1.0
  O  O26  1  0.966  0.304  0.341  1.0
  O  O27  1  0.875  0.716  0.162  1.0
  O  O28  1  0.375  0.213  0.159  1.0
  O  O29  1  0.054  0.216  0.841  1.0
  O  O30  1  0.463  0.804  0.338  1.0
  O  O31  1  0.466  0.125  0.662  1.0
  O  O32  1  0.696  0.037  0.662  1.0
  O  O33  1  0.287  0.125  0.841  1.0
  O  O34  1  0.284  0.446  0.159  1.0
  O  O35  1  0.375  0.034  0.338  1.0
  O  O36  1  0.078  0.601  0.165  1.0
  O  O37  1  0.436  0.912  0.835  1.0
  O  O38  1  0.851  0.186  0.023  1.0
  O  O39  1  0.162  0.828  0.977  1.0
  O  O40  1  0.578  0.412  0.477  1.0
  O  O41  1  0.662  0.686  0.335  1.0
  O  O42  1  0.351  0.328  0.665  1.0
  O  O43  1  0.936  0.101  0.523  1.0
  O  O44  1  0.088  0.922  0.523  1.0
  O  O45  1  0.399  0.564  0.477  1.0
  O  O46  1  0.814  0.838  0.665  1.0
  O  O47  1  0.172  0.149  0.335  1.0
  O  O48  1  0.672  0.338  0.023  1.0
  O  O49  1  0.588  0.064  0.165  1.0
  O  O50  1  0.899  0.422  0.835  1.0
  O  O51  1  0.314  0.649  0.977  1.0
[/CIF]
.