The crystal structure described by MgV4O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form MgO5 square pyramids that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-56°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-50°. 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(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-53°. 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(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 50-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form OMgV3 trigonal pyramids that share corners with two equivalent O(4)MgV3 trigonal pyramids, edges with two equivalent O(7)Mg2V3 square pyramids, and edges with two equivalent O(6)Mg2V3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one V(3), and two equivalent V(2) atoms to form distorted OMg2V3 trigonal bipyramids that share corners with two equivalent O(7)Mg2V3 square pyramids,  an edgeedge with one O(7)Mg2V3 square pyramid, edges with two equivalent O(6)Mg2V3 trigonal bipyramids, and edges with two equivalent O(4)MgV3 trigonal pyramids. In the seventh O site, O(7) is bonded to two equivalent Mg(1), one V(1), and two equivalent V(4) atoms to form OMg2V3 square pyramids that share corners with two equivalent O(6)Mg2V3 trigonal bipyramids, edges with two equivalent O(7)Mg2V3 square pyramids,  an edgeedge with one O(6)Mg2V3 trigonal bipyramid, and edges with two equivalent O(4)MgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. is represented by the CIF card [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.386
_cell_length_b   7.386
_cell_length_c   9.507
_cell_angle_alpha   50.623
_cell_angle_beta   50.623
_cell_angle_gamma   23.524
_symmetry_Int_Tables_number   1
_cell_volume   157.670
_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  0.676  0.676  0.797  1.0
  V  V1  1  0.379  0.379  0.431  1.0
  V  V2  1  0.862  0.862  0.801  1.0
  V  V3  1  0.165  0.165  0.165  1.0
  V  V4  1  0.654  0.654  0.509  1.0
  O  O5  1  0.149  0.149  0.381  1.0
  O  O6  1  0.541  0.541  0.252  1.0
  O  O7  1  0.470  0.470  0.714  1.0
  O  O8  1  0.863  0.863  0.591  1.0
  O  O9  1  0.837  0.837  0.352  1.0
  O  O10  1  0.221  0.221  0.900  1.0
  O  O11  1  0.171  0.171  0.656  1.0
  O  O12  1  0.791  0.791  0.041  1.0
[/CIF]
.
The crystal structure described by MgV4O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form MgO5 square pyramids that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-56°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-50°. 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(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 48-53°. 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(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 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 VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and  an edgeedge with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 50-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form OMgV3 trigonal pyramids that share corners with two equivalent O(4)MgV3 trigonal pyramids, edges with two equivalent O(7)Mg2V3 square pyramids, and edges with two equivalent O(6)Mg2V3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(4) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded to two equivalent Mg(1), one V(3), and two equivalent V(2) atoms to form distorted OMg2V3 trigonal bipyramids that share corners with two equivalent O(7)Mg2V3 square pyramids,  an edgeedge with one O(7)Mg2V3 square pyramid, edges with two equivalent O(6)Mg2V3 trigonal bipyramids, and edges with two equivalent O(4)MgV3 trigonal pyramids. In the seventh O site, O(7) is bonded to two equivalent Mg(1), one V(1), and two equivalent V(4) atoms to form OMg2V3 square pyramids that share corners with two equivalent O(6)Mg2V3 trigonal bipyramids, edges with two equivalent O(7)Mg2V3 square pyramids,  an edgeedge with one O(6)Mg2V3 trigonal bipyramid, and edges with two equivalent O(4)MgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(3) atoms. is represented by the CIF card [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.386
_cell_length_b   7.386
_cell_length_c   9.507
_cell_angle_alpha   50.623
_cell_angle_beta   50.623
_cell_angle_gamma   23.524
_symmetry_Int_Tables_number   1
_cell_volume   157.670
_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  0.676  0.676  0.797  1.0
  V  V1  1  0.379  0.379  0.431  1.0
  V  V2  1  0.862  0.862  0.801  1.0
  V  V3  1  0.165  0.165  0.165  1.0
  V  V4  1  0.654  0.654  0.509  1.0
  O  O5  1  0.149  0.149  0.381  1.0
  O  O6  1  0.541  0.541  0.252  1.0
  O  O7  1  0.470  0.470  0.714  1.0
  O  O8  1  0.863  0.863  0.591  1.0
  O  O9  1  0.837  0.837  0.352  1.0
  O  O10  1  0.221  0.221  0.900  1.0
  O  O11  1  0.171  0.171  0.656  1.0
  O  O12  1  0.791  0.791  0.041  1.0
[/CIF]
.