The material described by MgV2O4 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the third V site, V(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(2), and one V(3) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.047
_cell_length_c   6.035
_cell_angle_alpha   59.970
_cell_angle_beta   120.135
_cell_angle_gamma   89.918
_symmetry_Int_Tables_number   1
_cell_volume   155.923
_cell_formula_units_Z   2
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  0.625  0.625  0.750  1.0
  Mg  Mg1  1  0.125  0.625  0.750  1.0
  V  V2  1  0.625  0.625  0.250  1.0
  V  V3  1  0.995  0.004  0.990  1.0
  V  V4  1  0.255  0.246  0.510  1.0
  V  V5  1  0.625  0.125  0.250  1.0
  O  O6  1  0.389  0.373  0.777  1.0
  O  O7  1  0.388  0.850  0.775  1.0
  O  O8  1  0.862  0.400  0.725  1.0
  O  O9  1  0.861  0.877  0.723  1.0
  O  O10  1  0.857  0.379  0.243  1.0
  O  O11  1  0.385  0.379  0.243  1.0
  O  O12  1  0.865  0.871  0.257  1.0
  O  O13  1  0.393  0.871  0.257  1.0
[/CIF]
.
The material described by MgV2O4 is Spinel-like structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the third V site, V(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(2), and one V(3) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.047
_cell_length_c   6.035
_cell_angle_alpha   59.970
_cell_angle_beta   120.135
_cell_angle_gamma   89.918
_symmetry_Int_Tables_number   1
_cell_volume   155.923
_cell_formula_units_Z   2
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  0.625  0.625  0.750  1.0
  Mg  Mg1  1  0.125  0.625  0.750  1.0
  V  V2  1  0.625  0.625  0.250  1.0
  V  V3  1  0.995  0.004  0.990  1.0
  V  V4  1  0.255  0.246  0.510  1.0
  V  V5  1  0.625  0.125  0.250  1.0
  O  O6  1  0.389  0.373  0.777  1.0
  O  O7  1  0.388  0.850  0.775  1.0
  O  O8  1  0.862  0.400  0.725  1.0
  O  O9  1  0.861  0.877  0.723  1.0
  O  O10  1  0.857  0.379  0.243  1.0
  O  O11  1  0.385  0.379  0.243  1.0
  O  O12  1  0.865  0.871  0.257  1.0
  O  O13  1  0.393  0.871  0.257  1.0
[/CIF]
.