The material structure described by MgV2O4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second V site, V(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.964
_cell_length_b   9.170
_cell_length_c   10.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.038
_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
  Mg  Mg0  1  0.750  0.745  0.349  1.0
  Mg  Mg1  1  0.250  0.255  0.651  1.0
  Mg  Mg2  1  0.750  0.245  0.151  1.0
  Mg  Mg3  1  0.250  0.755  0.849  1.0
  V  V4  1  0.250  0.911  0.103  1.0
  V  V5  1  0.750  0.589  0.603  1.0
  V  V6  1  0.250  0.411  0.397  1.0
  V  V7  1  0.750  0.089  0.897  1.0
  V  V8  1  0.750  0.064  0.382  1.0
  V  V9  1  0.250  0.936  0.618  1.0
  V  V10  1  0.750  0.564  0.118  1.0
  V  V11  1  0.250  0.436  0.882  1.0
  O  O12  1  0.250  0.410  0.073  1.0
  O  O13  1  0.750  0.590  0.927  1.0
  O  O14  1  0.250  0.910  0.427  1.0
  O  O15  1  0.750  0.090  0.573  1.0
  O  O16  1  0.250  0.532  0.716  1.0
  O  O17  1  0.750  0.468  0.284  1.0
  O  O18  1  0.250  0.032  0.784  1.0
  O  O19  1  0.750  0.968  0.216  1.0
  O  O20  1  0.250  0.126  0.034  1.0
  O  O21  1  0.750  0.874  0.966  1.0
  O  O22  1  0.250  0.626  0.466  1.0
  O  O23  1  0.750  0.374  0.534  1.0
  O  O24  1  0.750  0.293  0.815  1.0
  O  O25  1  0.250  0.707  0.185  1.0
  O  O26  1  0.250  0.207  0.315  1.0
  O  O27  1  0.750  0.793  0.685  1.0
[/CIF]
.
The material structure described by MgV2O4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second V site, V(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and three equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OMg2V3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.964
_cell_length_b   9.170
_cell_length_c   10.560
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.038
_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
  Mg  Mg0  1  0.750  0.745  0.349  1.0
  Mg  Mg1  1  0.250  0.255  0.651  1.0
  Mg  Mg2  1  0.750  0.245  0.151  1.0
  Mg  Mg3  1  0.250  0.755  0.849  1.0
  V  V4  1  0.250  0.911  0.103  1.0
  V  V5  1  0.750  0.589  0.603  1.0
  V  V6  1  0.250  0.411  0.397  1.0
  V  V7  1  0.750  0.089  0.897  1.0
  V  V8  1  0.750  0.064  0.382  1.0
  V  V9  1  0.250  0.936  0.618  1.0
  V  V10  1  0.750  0.564  0.118  1.0
  V  V11  1  0.250  0.436  0.882  1.0
  O  O12  1  0.250  0.410  0.073  1.0
  O  O13  1  0.750  0.590  0.927  1.0
  O  O14  1  0.250  0.910  0.427  1.0
  O  O15  1  0.750  0.090  0.573  1.0
  O  O16  1  0.250  0.532  0.716  1.0
  O  O17  1  0.750  0.468  0.284  1.0
  O  O18  1  0.250  0.032  0.784  1.0
  O  O19  1  0.750  0.968  0.216  1.0
  O  O20  1  0.250  0.126  0.034  1.0
  O  O21  1  0.750  0.874  0.966  1.0
  O  O22  1  0.250  0.626  0.466  1.0
  O  O23  1  0.750  0.374  0.534  1.0
  O  O24  1  0.750  0.293  0.815  1.0
  O  O25  1  0.250  0.707  0.185  1.0
  O  O26  1  0.250  0.207  0.315  1.0
  O  O27  1  0.750  0.793  0.685  1.0
[/CIF]
.