The structure described by MgV4O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third V site, V(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(3), and two equivalent V(4) atoms to form distorted edge-sharing OMg2V3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(4), and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one V(1) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.990
_cell_length_b   7.935
_cell_length_c   7.960
_cell_angle_alpha   84.998
_cell_angle_beta   78.834
_cell_angle_gamma   75.290
_symmetry_Int_Tables_number   1
_cell_volume   179.070
_cell_formula_units_Z   1
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  0.528  0.497  0.498  1.0
  V  V1  1  0.567  0.160  0.545  1.0
  V  V2  1  0.168  0.507  0.153  1.0
  V  V3  1  0.817  0.504  0.824  1.0
  V  V4  1  0.318  0.834  0.464  1.0
  O  O5  1  0.863  0.666  0.581  1.0
  O  O6  1  0.455  0.360  0.718  1.0
  O  O7  1  0.567  0.633  0.274  1.0
  O  O8  1  0.187  0.324  0.417  1.0
  O  O9  1  0.100  0.041  0.638  1.0
  O  O10  1  0.775  0.380  0.073  1.0
  O  O11  1  0.767  0.976  0.380  1.0
  O  O12  1  0.179  0.626  0.937  1.0
[/CIF]
.
The structure described by MgV4O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with two equivalent V(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms. In the second V site, V(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third V site, V(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one V(3), and two equivalent V(4) atoms to form distorted edge-sharing OMg2V3 trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(4), and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one V(2), and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(2) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one V(1) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.990
_cell_length_b   7.935
_cell_length_c   7.960
_cell_angle_alpha   84.998
_cell_angle_beta   78.834
_cell_angle_gamma   75.290
_symmetry_Int_Tables_number   1
_cell_volume   179.070
_cell_formula_units_Z   1
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  0.528  0.497  0.498  1.0
  V  V1  1  0.567  0.160  0.545  1.0
  V  V2  1  0.168  0.507  0.153  1.0
  V  V3  1  0.817  0.504  0.824  1.0
  V  V4  1  0.318  0.834  0.464  1.0
  O  O5  1  0.863  0.666  0.581  1.0
  O  O6  1  0.455  0.360  0.718  1.0
  O  O7  1  0.567  0.633  0.274  1.0
  O  O8  1  0.187  0.324  0.417  1.0
  O  O9  1  0.100  0.041  0.638  1.0
  O  O10  1  0.775  0.380  0.073  1.0
  O  O11  1  0.767  0.976  0.380  1.0
  O  O12  1  0.179  0.626  0.937  1.0
[/CIF]
.