The structure described by BaMg2V2O8 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 Mg(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 Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. 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 Mg(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_BaMg2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.901
_cell_length_b   9.901
_cell_length_c   9.901
_cell_angle_alpha   100.917
_cell_angle_beta   100.917
_cell_angle_gamma   128.406
_symmetry_Int_Tables_number   1
_cell_volume   684.813
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ba  Ba3  1  0.750  0.250  0.500  1.0
  Mg  Mg4  1  0.582  0.918  0.000  1.0
  Mg  Mg5  1  0.832  0.332  0.164  1.0
  Mg  Mg6  1  0.168  0.668  0.836  1.0
  Mg  Mg7  1  0.918  0.582  0.000  1.0
  Mg  Mg8  1  0.668  0.832  0.500  1.0
  Mg  Mg9  1  0.418  0.418  0.336  1.0
  Mg  Mg10  1  0.082  0.082  0.664  1.0
  Mg  Mg11  1  0.332  0.168  0.500  1.0
  V  V12  1  0.875  0.706  0.331  1.0
  V  V13  1  0.794  0.625  0.669  1.0
  V  V14  1  0.956  0.125  0.331  1.0
  V  V15  1  0.375  0.544  0.669  1.0
  V  V16  1  0.375  0.044  0.169  1.0
  V  V17  1  0.456  0.125  0.831  1.0
  V  V18  1  0.294  0.625  0.169  1.0
  V  V19  1  0.875  0.206  0.831  1.0
  O  O20  1  0.381  0.222  0.164  1.0
  O  O21  1  0.057  0.216  0.836  1.0
  O  O22  1  0.466  0.131  0.659  1.0
  O  O23  1  0.472  0.807  0.341  1.0
  O  O24  1  0.693  0.028  0.659  1.0
  O  O25  1  0.284  0.443  0.164  1.0
  O  O26  1  0.278  0.119  0.836  1.0
  O  O27  1  0.369  0.034  0.341  1.0
  O  O28  1  0.869  0.528  0.336  1.0
  O  O29  1  0.193  0.534  0.664  1.0
  O  O30  1  0.784  0.619  0.841  1.0
  O  O31  1  0.778  0.943  0.159  1.0
  O  O32  1  0.557  0.722  0.841  1.0
  O  O33  1  0.966  0.307  0.336  1.0
  O  O34  1  0.972  0.631  0.664  1.0
  O  O35  1  0.881  0.716  0.159  1.0
  O  O36  1  0.437  0.600  0.519  1.0
  O  O37  1  0.081  0.918  0.481  1.0
  O  O38  1  0.168  0.187  0.336  1.0
  O  O39  1  0.850  0.831  0.664  1.0
  O  O40  1  0.937  0.418  0.836  1.0
  O  O41  1  0.350  0.687  0.019  1.0
  O  O42  1  0.668  0.331  0.981  1.0
  O  O43  1  0.581  0.100  0.164  1.0
  O  O44  1  0.400  0.919  0.836  1.0
  O  O45  1  0.082  0.563  0.164  1.0
  O  O46  1  0.169  0.832  0.019  1.0
  O  O47  1  0.813  0.150  0.981  1.0
  O  O48  1  0.313  0.332  0.664  1.0
  O  O49  1  0.900  0.063  0.481  1.0
  O  O50  1  0.582  0.419  0.519  1.0
  O  O51  1  0.669  0.650  0.336  1.0
[/CIF]
.
The structure described by BaMg2V2O8 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 Mg(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 Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. 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 Mg(1)O6 octahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 Mg(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent Mg(1), and one V(1) atom. is represented by the CIF file [CIF]
data_BaMg2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.901
_cell_length_b   9.901
_cell_length_c   9.901
_cell_angle_alpha   100.917
_cell_angle_beta   100.917
_cell_angle_gamma   128.406
_symmetry_Int_Tables_number   1
_cell_volume   684.813
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.500  0.500  0.000  1.0
  Ba  Ba3  1  0.750  0.250  0.500  1.0
  Mg  Mg4  1  0.582  0.918  0.000  1.0
  Mg  Mg5  1  0.832  0.332  0.164  1.0
  Mg  Mg6  1  0.168  0.668  0.836  1.0
  Mg  Mg7  1  0.918  0.582  0.000  1.0
  Mg  Mg8  1  0.668  0.832  0.500  1.0
  Mg  Mg9  1  0.418  0.418  0.336  1.0
  Mg  Mg10  1  0.082  0.082  0.664  1.0
  Mg  Mg11  1  0.332  0.168  0.500  1.0
  V  V12  1  0.875  0.706  0.331  1.0
  V  V13  1  0.794  0.625  0.669  1.0
  V  V14  1  0.956  0.125  0.331  1.0
  V  V15  1  0.375  0.544  0.669  1.0
  V  V16  1  0.375  0.044  0.169  1.0
  V  V17  1  0.456  0.125  0.831  1.0
  V  V18  1  0.294  0.625  0.169  1.0
  V  V19  1  0.875  0.206  0.831  1.0
  O  O20  1  0.381  0.222  0.164  1.0
  O  O21  1  0.057  0.216  0.836  1.0
  O  O22  1  0.466  0.131  0.659  1.0
  O  O23  1  0.472  0.807  0.341  1.0
  O  O24  1  0.693  0.028  0.659  1.0
  O  O25  1  0.284  0.443  0.164  1.0
  O  O26  1  0.278  0.119  0.836  1.0
  O  O27  1  0.369  0.034  0.341  1.0
  O  O28  1  0.869  0.528  0.336  1.0
  O  O29  1  0.193  0.534  0.664  1.0
  O  O30  1  0.784  0.619  0.841  1.0
  O  O31  1  0.778  0.943  0.159  1.0
  O  O32  1  0.557  0.722  0.841  1.0
  O  O33  1  0.966  0.307  0.336  1.0
  O  O34  1  0.972  0.631  0.664  1.0
  O  O35  1  0.881  0.716  0.159  1.0
  O  O36  1  0.437  0.600  0.519  1.0
  O  O37  1  0.081  0.918  0.481  1.0
  O  O38  1  0.168  0.187  0.336  1.0
  O  O39  1  0.850  0.831  0.664  1.0
  O  O40  1  0.937  0.418  0.836  1.0
  O  O41  1  0.350  0.687  0.019  1.0
  O  O42  1  0.668  0.331  0.981  1.0
  O  O43  1  0.581  0.100  0.164  1.0
  O  O44  1  0.400  0.919  0.836  1.0
  O  O45  1  0.082  0.563  0.164  1.0
  O  O46  1  0.169  0.832  0.019  1.0
  O  O47  1  0.813  0.150  0.981  1.0
  O  O48  1  0.313  0.332  0.664  1.0
  O  O49  1  0.900  0.063  0.481  1.0
  O  O50  1  0.582  0.419  0.519  1.0
  O  O51  1  0.669  0.650  0.336  1.0
[/CIF]
.