The material structure described by MgV2ZnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one Zn(1)O5 trigonal bipyramid, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(6) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one Zn(1)O5 trigonal bipyramid, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. Zn(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Zn(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one V(1), and one Zn(1) atom to form OMg2VZn tetrahedra that share corners with two equivalent O(3)Mg2VZn tetrahedra, corners with two equivalent O(5)V3Zn trigonal pyramids, edges with two equivalent O(6)MgV3 trigonal pyramids, and edges with two equivalent O(4)MgVZn2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), and two equivalent Zn(1) atoms to form OMgVZn2 trigonal pyramids that share corners with two equivalent O(6)MgV3 trigonal pyramids, corners with two equivalent O(4)MgVZn2 trigonal pyramids, edges with two equivalent O(3)Mg2VZn tetrahedra, and edges with two equivalent O(5)V3Zn trigonal pyramids. In the fifth O site, O(5) is bonded to one V(1), two equivalent V(2), and one Zn(1) atom to form OV3Zn trigonal pyramids that share corners with two equivalent O(3)Mg2VZn tetrahedra, corners with two equivalent O(5)V3Zn trigonal pyramids, edges with two equivalent O(6)MgV3 trigonal pyramids, and edges with two equivalent O(4)MgVZn2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(6)MgV3 trigonal pyramids, corners with two equivalent O(4)MgVZn2 trigonal pyramids, edges with two equivalent O(3)Mg2VZn tetrahedra, and edges with two equivalent O(5)V3Zn trigonal pyramids. is represented by the CIF card [CIF]
data_MgV2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   5.279
_cell_length_c   6.383
_cell_angle_alpha   90.512
_cell_angle_beta   90.006
_cell_angle_gamma   112.035
_symmetry_Int_Tables_number   1
_cell_volume   123.734
_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  0.821  0.643  0.893  1.0
  V  V1  1  0.149  0.299  0.635  1.0
  V  V2  1  0.816  0.633  0.370  1.0
  Zn  Zn3  1  0.136  0.272  0.133  1.0
  O  O4  1  0.969  0.940  0.638  1.0
  O  O5  1  0.940  0.883  0.169  1.0
  O  O6  1  0.257  0.516  0.877  1.0
  O  O7  1  0.678  0.356  0.163  1.0
  O  O8  1  0.274  0.549  0.403  1.0
  O  O9  1  0.691  0.384  0.619  1.0
[/CIF]
.
The material structure described by MgV2ZnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one Zn(1)O5 trigonal bipyramid, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(6) atoms to form distorted VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one Zn(1)O5 trigonal bipyramid, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. Zn(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Zn(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one V(1), and one Zn(1) atom to form OMg2VZn tetrahedra that share corners with two equivalent O(3)Mg2VZn tetrahedra, corners with two equivalent O(5)V3Zn trigonal pyramids, edges with two equivalent O(6)MgV3 trigonal pyramids, and edges with two equivalent O(4)MgVZn2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one V(2), and two equivalent Zn(1) atoms to form OMgVZn2 trigonal pyramids that share corners with two equivalent O(6)MgV3 trigonal pyramids, corners with two equivalent O(4)MgVZn2 trigonal pyramids, edges with two equivalent O(3)Mg2VZn tetrahedra, and edges with two equivalent O(5)V3Zn trigonal pyramids. In the fifth O site, O(5) is bonded to one V(1), two equivalent V(2), and one Zn(1) atom to form OV3Zn trigonal pyramids that share corners with two equivalent O(3)Mg2VZn tetrahedra, corners with two equivalent O(5)V3Zn trigonal pyramids, edges with two equivalent O(6)MgV3 trigonal pyramids, and edges with two equivalent O(4)MgVZn2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(6)MgV3 trigonal pyramids, corners with two equivalent O(4)MgVZn2 trigonal pyramids, edges with two equivalent O(3)Mg2VZn tetrahedra, and edges with two equivalent O(5)V3Zn trigonal pyramids. is represented by the CIF card [CIF]
data_MgV2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   5.279
_cell_length_c   6.383
_cell_angle_alpha   90.512
_cell_angle_beta   90.006
_cell_angle_gamma   112.035
_symmetry_Int_Tables_number   1
_cell_volume   123.734
_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  0.821  0.643  0.893  1.0
  V  V1  1  0.149  0.299  0.635  1.0
  V  V2  1  0.816  0.633  0.370  1.0
  Zn  Zn3  1  0.136  0.272  0.133  1.0
  O  O4  1  0.969  0.940  0.638  1.0
  O  O5  1  0.940  0.883  0.169  1.0
  O  O6  1  0.257  0.516  0.877  1.0
  O  O7  1  0.678  0.356  0.163  1.0
  O  O8  1  0.274  0.549  0.403  1.0
  O  O9  1  0.691  0.384  0.619  1.0
[/CIF]
.