The crystal structure described by MgV2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(9) and three equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(5)O6 octahedra, corners with three equivalent V(5)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second Mg site, Mg(2) is bonded to one O(2) and three equivalent O(3) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the third Mg site, Mg(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(2)O4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(5) and three equivalent O(7) atoms to form MgO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fifth Mg site, Mg(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(6)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. In the sixth Mg site, Mg(6) is bonded to one O(12) and three equivalent O(8) atoms to form MgO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(5)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Mg(4)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(6)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent Mg(4)O4 tetrahedra, corners with three equivalent Mg(6)O4 tetrahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(10) and three equivalent O(4) atoms to form VO4 tetrahedra that share corners with three equivalent Mg(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fifth V site, V(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Mg(6)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(5)O6 octahedra. In the sixth V site, V(6) is bonded to one O(6) and three equivalent O(11) atoms to form VO4 tetrahedra that share corners with three equivalent Mg(5)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(5), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2) and three equivalent V(1) atoms. In the third O site, O(3) is bonded to one Mg(2), one Mg(3), and two equivalent V(2) atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent O(3)Mg2V2 trigonal pyramids, corners with three equivalent O(4)MgV3 trigonal pyramids, corners with four equivalent O(8)MgV3 trigonal pyramids, and edges with two equivalent O(3)Mg2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(3), one V(4), and two equivalent V(1) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(4)MgV3 trigonal pyramids, corners with three equivalent O(3)Mg2V2 trigonal pyramids,  an edgeedge with one O(6)V4 trigonal pyramid, and edges with two equivalent O(4)MgV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(4) and three equivalent V(2) atoms. In the sixth O site, O(6) is bonded to one V(6) and three equivalent V(1) atoms to form distorted edge-sharing OV4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(4), one V(3), and two equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(6), one V(3), and two equivalent V(2) atoms to form distorted OMgV3 trigonal pyramids that share  a cornercorner with one O(12)MgV3 trigonal pyramid, corners with two equivalent O(8)MgV3 trigonal pyramids, corners with three equivalent O(7)MgV3 trigonal pyramids, corners with four equivalent O(3)Mg2V2 trigonal pyramids, and edges with two equivalent O(8)MgV3 trigonal pyramids. In the ninth O site, O(9) is bonded to one Mg(1) and three equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one V(4) and three equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(5), one V(6), and two equivalent V(5) atoms. In the twelfth O site, O(12) is bonded to one Mg(6) and three equivalent V(5) atoms to form distorted corner-sharing OMgV3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.060
_cell_length_c   14.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   472.261
_cell_formula_units_Z   6
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  0.667  0.333  0.955  1.0
  Mg  Mg1  1  0.000  0.000  0.621  1.0
  Mg  Mg2  1  0.333  0.667  0.665  1.0
  Mg  Mg3  1  0.333  0.667  0.292  1.0
  Mg  Mg4  1  0.000  0.000  0.998  1.0
  Mg  Mg5  1  0.000  0.000  0.377  1.0
  V  V6  1  0.164  0.836  0.834  1.0
  V  V7  1  0.164  0.328  0.834  1.0
  V  V8  1  0.498  0.502  0.500  1.0
  V  V9  1  0.672  0.836  0.834  1.0
  V  V10  1  0.498  0.997  0.500  1.0
  V  V11  1  0.667  0.333  0.336  1.0
  V  V12  1  0.667  0.333  0.711  1.0
  V  V13  1  0.832  0.168  0.167  1.0
  V  V14  1  0.003  0.502  0.500  1.0
  V  V15  1  0.832  0.665  0.167  1.0
  V  V16  1  0.335  0.168  0.167  1.0
  V  V17  1  0.333  0.667  0.043  1.0
  O  O18  1  0.845  0.155  0.912  1.0
  O  O19  1  0.000  0.000  0.759  1.0
  O  O20  1  0.845  0.690  0.912  1.0
  O  O21  1  0.310  0.155  0.912  1.0
  O  O22  1  0.179  0.821  0.576  1.0
  O  O23  1  0.020  0.510  0.755  1.0
  O  O24  1  0.333  0.667  0.425  1.0
  O  O25  1  0.490  0.980  0.755  1.0
  O  O26  1  0.333  0.667  0.909  1.0
  O  O27  1  0.179  0.357  0.576  1.0
  O  O28  1  0.643  0.821  0.576  1.0
  O  O29  1  0.490  0.510  0.755  1.0
  O  O30  1  0.513  0.487  0.247  1.0
  O  O31  1  0.359  0.179  0.420  1.0
  O  O32  1  0.821  0.641  0.420  1.0
  O  O33  1  0.667  0.333  0.093  1.0
  O  O34  1  0.667  0.333  0.578  1.0
  O  O35  1  0.513  0.026  0.247  1.0
  O  O36  1  0.974  0.487  0.247  1.0
  O  O37  1  0.821  0.179  0.420  1.0
  O  O38  1  0.683  0.842  0.088  1.0
  O  O39  1  0.158  0.317  0.088  1.0
  O  O40  1  0.000  0.000  0.239  1.0
  O  O41  1  0.158  0.842  0.088  1.0
[/CIF]
.
The crystal structure described by MgV2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(9) and three equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(5)O6 octahedra, corners with three equivalent V(5)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second Mg site, Mg(2) is bonded to one O(2) and three equivalent O(3) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(3)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the third Mg site, Mg(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(2)O4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(5) and three equivalent O(7) atoms to form MgO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fifth Mg site, Mg(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(6)O4 tetrahedra, edges with three equivalent V(1)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. In the sixth Mg site, Mg(6) is bonded to one O(12) and three equivalent O(8) atoms to form MgO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(5)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Mg(2)O4 tetrahedra,  a cornercorner with one V(6)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one Mg(4)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(6)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent Mg(4)O4 tetrahedra, corners with three equivalent Mg(6)O4 tetrahedra, edges with three equivalent V(2)O6 octahedra, and edges with three equivalent V(5)O6 octahedra. In the fourth V site, V(4) is bonded to one O(10) and three equivalent O(4) atoms to form VO4 tetrahedra that share corners with three equivalent Mg(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fifth V site, V(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one Mg(6)O4 tetrahedra, corners with two equivalent Mg(4)O4 tetrahedra, corners with two equivalent V(6)O4 tetrahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(5)O6 octahedra. In the sixth V site, V(6) is bonded to one O(6) and three equivalent O(11) atoms to form VO4 tetrahedra that share corners with three equivalent Mg(5)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and corners with six equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mg(5), and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2) and three equivalent V(1) atoms. In the third O site, O(3) is bonded to one Mg(2), one Mg(3), and two equivalent V(2) atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent O(3)Mg2V2 trigonal pyramids, corners with three equivalent O(4)MgV3 trigonal pyramids, corners with four equivalent O(8)MgV3 trigonal pyramids, and edges with two equivalent O(3)Mg2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(3), one V(4), and two equivalent V(1) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(4)MgV3 trigonal pyramids, corners with three equivalent O(3)Mg2V2 trigonal pyramids,  an edgeedge with one O(6)V4 trigonal pyramid, and edges with two equivalent O(4)MgV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(4) and three equivalent V(2) atoms. In the sixth O site, O(6) is bonded to one V(6) and three equivalent V(1) atoms to form distorted edge-sharing OV4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(4), one V(3), and two equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(6), one V(3), and two equivalent V(2) atoms to form distorted OMgV3 trigonal pyramids that share  a cornercorner with one O(12)MgV3 trigonal pyramid, corners with two equivalent O(8)MgV3 trigonal pyramids, corners with three equivalent O(7)MgV3 trigonal pyramids, corners with four equivalent O(3)Mg2V2 trigonal pyramids, and edges with two equivalent O(8)MgV3 trigonal pyramids. In the ninth O site, O(9) is bonded to one Mg(1) and three equivalent V(5) atoms to form a mixture of distorted corner and edge-sharing OMgV3 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one V(4) and three equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(5), one V(6), and two equivalent V(5) atoms. In the twelfth O site, O(12) is bonded to one Mg(6) and three equivalent V(5) atoms to form distorted corner-sharing OMgV3 trigonal pyramids. is represented by the CIF card [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.060
_cell_length_c   14.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   472.261
_cell_formula_units_Z   6
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  0.667  0.333  0.955  1.0
  Mg  Mg1  1  0.000  0.000  0.621  1.0
  Mg  Mg2  1  0.333  0.667  0.665  1.0
  Mg  Mg3  1  0.333  0.667  0.292  1.0
  Mg  Mg4  1  0.000  0.000  0.998  1.0
  Mg  Mg5  1  0.000  0.000  0.377  1.0
  V  V6  1  0.164  0.836  0.834  1.0
  V  V7  1  0.164  0.328  0.834  1.0
  V  V8  1  0.498  0.502  0.500  1.0
  V  V9  1  0.672  0.836  0.834  1.0
  V  V10  1  0.498  0.997  0.500  1.0
  V  V11  1  0.667  0.333  0.336  1.0
  V  V12  1  0.667  0.333  0.711  1.0
  V  V13  1  0.832  0.168  0.167  1.0
  V  V14  1  0.003  0.502  0.500  1.0
  V  V15  1  0.832  0.665  0.167  1.0
  V  V16  1  0.335  0.168  0.167  1.0
  V  V17  1  0.333  0.667  0.043  1.0
  O  O18  1  0.845  0.155  0.912  1.0
  O  O19  1  0.000  0.000  0.759  1.0
  O  O20  1  0.845  0.690  0.912  1.0
  O  O21  1  0.310  0.155  0.912  1.0
  O  O22  1  0.179  0.821  0.576  1.0
  O  O23  1  0.020  0.510  0.755  1.0
  O  O24  1  0.333  0.667  0.425  1.0
  O  O25  1  0.490  0.980  0.755  1.0
  O  O26  1  0.333  0.667  0.909  1.0
  O  O27  1  0.179  0.357  0.576  1.0
  O  O28  1  0.643  0.821  0.576  1.0
  O  O29  1  0.490  0.510  0.755  1.0
  O  O30  1  0.513  0.487  0.247  1.0
  O  O31  1  0.359  0.179  0.420  1.0
  O  O32  1  0.821  0.641  0.420  1.0
  O  O33  1  0.667  0.333  0.093  1.0
  O  O34  1  0.667  0.333  0.578  1.0
  O  O35  1  0.513  0.026  0.247  1.0
  O  O36  1  0.974  0.487  0.247  1.0
  O  O37  1  0.821  0.179  0.420  1.0
  O  O38  1  0.683  0.842  0.088  1.0
  O  O39  1  0.158  0.317  0.088  1.0
  O  O40  1  0.000  0.000  0.239  1.0
  O  O41  1  0.158  0.842  0.088  1.0
[/CIF]
.