The material structure described by MgV2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(13), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second Mg site, Mg(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with three equivalent V(2)O4 tetrahedra, corners with three equivalent V(7)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form MgO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(15), two equivalent O(10), and two equivalent O(12) atoms to form MgO6 octahedra that share corners with three equivalent V(5)O4 tetrahedra, corners with three equivalent V(8)O4 tetrahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fifth Mg site, Mg(5) is bonded to one O(14), one O(6), two equivalent O(12), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, and edges with four equivalent V(4)O6 octahedra. In the sixth Mg site, Mg(6) is bonded to one O(13), one O(18), two equivalent O(10), and two equivalent O(17) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, corners with two equivalent V(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(6)O6 octahedra. There are nine inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(9), and two equivalent O(4) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the third V site, V(3) is bonded to one O(16), one O(3), two equivalent O(1), and two equivalent O(17) atoms to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(9)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fifth V site, V(5) is bonded to one O(15), one O(6), and two equivalent O(10) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the sixth V site, V(6) is bonded to one O(10), one O(13), one O(15), one O(16), one O(17), and one O(18) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, corners with two equivalent V(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the seventh V site, V(7) is bonded to one O(14), one O(5), and two equivalent O(7) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the eighth V site, V(8) is bonded to one O(11), one O(18), and two equivalent O(12) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the ninth V site, V(9) is bonded to one O(16), one O(8), and two equivalent O(17) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with four equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(3), one V(1), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(3), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Mg(2), one Mg(5), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(2), one V(7), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(5), one V(5), and two equivalent V(4) atoms. In the seventh O site, O(7) is bonded to one Mg(2), one Mg(3), one V(1), and one V(7) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(3), one V(9), and two equivalent V(1) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one V(2), and two equivalent V(4) atoms. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(6), one V(5), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mg(4), one V(8), and two equivalent V(4) atoms. In the twelfth O site, O(12) is bonded to one Mg(4), one Mg(5), one V(4), and one V(8) atom to form distorted OMg2V2 trigonal pyramids that share  a cornercorner with one O(12)Mg2V2 trigonal pyramid,  a cornercorner with one O(18)MgV3 trigonal pyramid, corners with three equivalent O(4)Mg2V2 trigonal pyramids, and  an edgeedge with one O(12)Mg2V2 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mg(1), one Mg(6), and two equivalent V(6) atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent O(16)V4 trigonal pyramids, corners with three equivalent O(18)MgV3 trigonal pyramids, and corners with four equivalent O(17)MgV3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Mg(5), one V(7), and two equivalent V(4) atoms. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Mg(4), one V(5), and two equivalent V(6) atoms. In the sixteenth O site, O(16) is bonded to one V(3), one V(9), and two equivalent V(6) atoms to form distorted OV4 trigonal pyramids that share corners with two equivalent O(13)Mg2V2 trigonal pyramids, corners with two equivalent O(17)MgV3 trigonal pyramids,  an edgeedge with one O(18)MgV3 trigonal pyramid, and edges with two equivalent O(17)MgV3 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Mg(6), one V(3), one V(6), and one V(9) atom to form distorted OMgV3 trigonal pyramids that share  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(16)V4 trigonal pyramid, corners with two equivalent O(13)Mg2V2 trigonal pyramids,  an edgeedge with one O(17)MgV3 trigonal pyramid,  an edgeedge with one O(18)MgV3 trigonal pyramid, and  an edgeedge with one O(16)V4 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Mg(6), one V(8), and two equivalent V(6) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(12)Mg2V2 trigonal pyramids, corners with three equivalent O(13)Mg2V2 trigonal pyramids,  an edgeedge with one O(16)V4 trigonal pyramid, and edges with two equivalent O(17)MgV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   6.053
_cell_length_c   14.835
_cell_angle_alpha   89.675
_cell_angle_beta   89.675
_cell_angle_gamma   59.927
_symmetry_Int_Tables_number   1
_cell_volume   470.302
_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  0.336  0.336  0.041  1.0
  Mg  Mg1  1  0.665  0.665  0.333  1.0
  Mg  Mg2  1  0.833  0.833  0.167  1.0
  Mg  Mg3  1  0.330  0.330  0.666  1.0
  Mg  Mg4  1  0.498  0.498  0.500  1.0
  Mg  Mg5  1  0.167  0.167  0.833  1.0
  V  V6  1  0.836  0.328  0.167  1.0
  V  V7  1  0.003  0.003  0.378  1.0
  V  V8  1  0.999  0.999  0.003  1.0
  V  V9  1  0.328  0.836  0.167  1.0
  V  V10  1  0.500  0.997  0.500  1.0
  V  V11  1  0.669  0.669  0.709  1.0
  V  V12  1  0.997  0.500  0.500  1.0
  V  V13  1  0.167  0.661  0.833  1.0
  V  V14  1  0.327  0.327  0.290  1.0
  V  V15  1  0.661  0.167  0.833  1.0
  V  V16  1  0.994  0.994  0.624  1.0
  V  V17  1  0.662  0.662  0.960  1.0
  O  O18  1  0.697  0.159  0.086  1.0
  O  O19  1  0.001  0.001  0.245  1.0
  O  O20  1  0.159  0.697  0.086  1.0
  O  O21  1  0.155  0.155  0.089  1.0
  O  O22  1  0.354  0.823  0.420  1.0
  O  O23  1  0.506  0.506  0.245  1.0
  O  O24  1  0.667  0.667  0.576  1.0
  O  O25  1  0.506  0.980  0.246  1.0
  O  O26  1  0.823  0.354  0.420  1.0
  O  O27  1  0.663  0.663  0.091  1.0
  O  O28  1  0.824  0.824  0.421  1.0
  O  O29  1  0.980  0.506  0.246  1.0
  O  O30  1  0.017  0.495  0.753  1.0
  O  O31  1  0.172  0.172  0.579  1.0
  O  O32  1  0.167  0.642  0.579  1.0
  O  O33  1  0.495  0.017  0.753  1.0
  O  O34  1  0.334  0.334  0.907  1.0
  O  O35  1  0.329  0.329  0.423  1.0
  O  O36  1  0.491  0.491  0.755  1.0
  O  O37  1  0.642  0.167  0.579  1.0
  O  O38  1  0.840  0.840  0.914  1.0
  O  O39  1  0.839  0.307  0.916  1.0
  O  O40  1  0.998  0.998  0.757  1.0
  O  O41  1  0.307  0.839  0.916  1.0
[/CIF]
.
The material structure described by MgV2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(13), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second Mg site, Mg(2) is bonded to one O(5), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with three equivalent V(2)O4 tetrahedra, corners with three equivalent V(7)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form MgO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the fourth Mg site, Mg(4) is bonded to one O(11), one O(15), two equivalent O(10), and two equivalent O(12) atoms to form MgO6 octahedra that share corners with three equivalent V(5)O4 tetrahedra, corners with three equivalent V(8)O4 tetrahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fifth Mg site, Mg(5) is bonded to one O(14), one O(6), two equivalent O(12), and two equivalent O(4) atoms to form MgO6 octahedra that share  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, and edges with four equivalent V(4)O6 octahedra. In the sixth Mg site, Mg(6) is bonded to one O(13), one O(18), two equivalent O(10), and two equivalent O(17) atoms to form MgO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, corners with two equivalent V(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with four equivalent V(6)O6 octahedra. There are nine inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(9)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent V(7)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(9), and two equivalent O(4) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the third V site, V(3) is bonded to one O(16), one O(3), two equivalent O(1), and two equivalent O(17) atoms to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent V(9)O4 tetrahedra,  an edgeedge with one Mg(3)O6 octahedra,  an edgeedge with one Mg(6)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(14), one O(4), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(5)O4 tetrahedra,  a cornercorner with one V(7)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(8)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fifth V site, V(5) is bonded to one O(15), one O(6), and two equivalent O(10) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the sixth V site, V(6) is bonded to one O(10), one O(13), one O(15), one O(16), one O(17), and one O(18) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O4 tetrahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, corners with two equivalent V(9)O4 tetrahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the seventh V site, V(7) is bonded to one O(14), one O(5), and two equivalent O(7) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(5)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with three equivalent Mg(2)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the eighth V site, V(8) is bonded to one O(11), one O(18), and two equivalent O(12) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(6)O6 octahedra, corners with two equivalent Mg(5)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with three equivalent Mg(4)O6 octahedra, and corners with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the ninth V site, V(9) is bonded to one O(16), one O(8), and two equivalent O(17) atoms to form VO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with four equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(3), one V(1), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(3), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Mg(2), one Mg(5), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(2), one V(7), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(5), one V(5), and two equivalent V(4) atoms. In the seventh O site, O(7) is bonded to one Mg(2), one Mg(3), one V(1), and one V(7) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(3), one V(9), and two equivalent V(1) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one V(2), and two equivalent V(4) atoms. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(6), one V(5), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mg(4), one V(8), and two equivalent V(4) atoms. In the twelfth O site, O(12) is bonded to one Mg(4), one Mg(5), one V(4), and one V(8) atom to form distorted OMg2V2 trigonal pyramids that share  a cornercorner with one O(12)Mg2V2 trigonal pyramid,  a cornercorner with one O(18)MgV3 trigonal pyramid, corners with three equivalent O(4)Mg2V2 trigonal pyramids, and  an edgeedge with one O(12)Mg2V2 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Mg(1), one Mg(6), and two equivalent V(6) atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent O(16)V4 trigonal pyramids, corners with three equivalent O(18)MgV3 trigonal pyramids, and corners with four equivalent O(17)MgV3 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Mg(5), one V(7), and two equivalent V(4) atoms. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Mg(4), one V(5), and two equivalent V(6) atoms. In the sixteenth O site, O(16) is bonded to one V(3), one V(9), and two equivalent V(6) atoms to form distorted OV4 trigonal pyramids that share corners with two equivalent O(13)Mg2V2 trigonal pyramids, corners with two equivalent O(17)MgV3 trigonal pyramids,  an edgeedge with one O(18)MgV3 trigonal pyramid, and edges with two equivalent O(17)MgV3 trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Mg(6), one V(3), one V(6), and one V(9) atom to form distorted OMgV3 trigonal pyramids that share  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(16)V4 trigonal pyramid, corners with two equivalent O(13)Mg2V2 trigonal pyramids,  an edgeedge with one O(17)MgV3 trigonal pyramid,  an edgeedge with one O(18)MgV3 trigonal pyramid, and  an edgeedge with one O(16)V4 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Mg(6), one V(8), and two equivalent V(6) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(12)Mg2V2 trigonal pyramids, corners with three equivalent O(13)Mg2V2 trigonal pyramids,  an edgeedge with one O(16)V4 trigonal pyramid, and edges with two equivalent O(17)MgV3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   6.053
_cell_length_c   14.835
_cell_angle_alpha   89.675
_cell_angle_beta   89.675
_cell_angle_gamma   59.927
_symmetry_Int_Tables_number   1
_cell_volume   470.302
_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  0.336  0.336  0.041  1.0
  Mg  Mg1  1  0.665  0.665  0.333  1.0
  Mg  Mg2  1  0.833  0.833  0.167  1.0
  Mg  Mg3  1  0.330  0.330  0.666  1.0
  Mg  Mg4  1  0.498  0.498  0.500  1.0
  Mg  Mg5  1  0.167  0.167  0.833  1.0
  V  V6  1  0.836  0.328  0.167  1.0
  V  V7  1  0.003  0.003  0.378  1.0
  V  V8  1  0.999  0.999  0.003  1.0
  V  V9  1  0.328  0.836  0.167  1.0
  V  V10  1  0.500  0.997  0.500  1.0
  V  V11  1  0.669  0.669  0.709  1.0
  V  V12  1  0.997  0.500  0.500  1.0
  V  V13  1  0.167  0.661  0.833  1.0
  V  V14  1  0.327  0.327  0.290  1.0
  V  V15  1  0.661  0.167  0.833  1.0
  V  V16  1  0.994  0.994  0.624  1.0
  V  V17  1  0.662  0.662  0.960  1.0
  O  O18  1  0.697  0.159  0.086  1.0
  O  O19  1  0.001  0.001  0.245  1.0
  O  O20  1  0.159  0.697  0.086  1.0
  O  O21  1  0.155  0.155  0.089  1.0
  O  O22  1  0.354  0.823  0.420  1.0
  O  O23  1  0.506  0.506  0.245  1.0
  O  O24  1  0.667  0.667  0.576  1.0
  O  O25  1  0.506  0.980  0.246  1.0
  O  O26  1  0.823  0.354  0.420  1.0
  O  O27  1  0.663  0.663  0.091  1.0
  O  O28  1  0.824  0.824  0.421  1.0
  O  O29  1  0.980  0.506  0.246  1.0
  O  O30  1  0.017  0.495  0.753  1.0
  O  O31  1  0.172  0.172  0.579  1.0
  O  O32  1  0.167  0.642  0.579  1.0
  O  O33  1  0.495  0.017  0.753  1.0
  O  O34  1  0.334  0.334  0.907  1.0
  O  O35  1  0.329  0.329  0.423  1.0
  O  O36  1  0.491  0.491  0.755  1.0
  O  O37  1  0.642  0.167  0.579  1.0
  O  O38  1  0.840  0.840  0.914  1.0
  O  O39  1  0.839  0.307  0.916  1.0
  O  O40  1  0.998  0.998  0.757  1.0
  O  O41  1  0.307  0.839  0.916  1.0
[/CIF]
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