The compound described by MgV4Cr2O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(4), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one V(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one V(4)O5 trigonal bipyramid, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-69°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-62°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and corners with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-65°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-44°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(4)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with two equivalent V(4)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Mg(1), one V(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Cr(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one Cr(1), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(4), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one V(4), one Cr(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.822
_cell_length_b   7.098
_cell_length_c   5.641
_cell_angle_alpha   74.192
_cell_angle_beta   109.039
_cell_angle_gamma   99.783
_symmetry_Int_Tables_number   1
_cell_volume   247.421
_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  0.745  0.710  0.796  1.0
  V  V1  1  0.192  0.597  0.751  1.0
  V  V2  1  0.389  0.806  0.269  1.0
  V  V3  1  0.616  0.206  0.740  1.0
  V  V4  1  0.840  0.384  0.304  1.0
  Cr  Cr5  1  0.081  0.079  0.744  1.0
  Cr  Cr6  1  0.921  0.915  0.254  1.0
  O  O7  1  0.003  0.801  0.647  1.0
  O  O8  1  0.043  0.364  0.693  1.0
  O  O9  1  0.191  0.971  0.147  1.0
  O  O10  1  0.426  0.696  0.605  1.0
  O  O11  1  0.375  0.098  0.753  1.0
  O  O12  1  0.326  0.625  0.100  1.0
  O  O13  1  0.697  0.392  0.910  1.0
  O  O14  1  0.634  0.912  0.275  1.0
  O  O15  1  0.594  0.313  0.421  1.0
  O  O16  1  0.800  0.014  0.847  1.0
  O  O17  1  0.884  0.658  0.175  1.0
  O  O18  1  0.982  0.162  0.367  1.0
[/CIF]
.
The compound described by MgV4Cr2O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(4), and one O(7) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and  an edgeedge with one V(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 66°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one V(4)O5 trigonal bipyramid, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-69°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-62°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and corners with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-65°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-44°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form CrO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(4)O5 trigonal bipyramid. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with two equivalent V(4)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Mg(1), one V(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Cr(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one Cr(1), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(4), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one V(4), one Cr(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.822
_cell_length_b   7.098
_cell_length_c   5.641
_cell_angle_alpha   74.192
_cell_angle_beta   109.039
_cell_angle_gamma   99.783
_symmetry_Int_Tables_number   1
_cell_volume   247.421
_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  0.745  0.710  0.796  1.0
  V  V1  1  0.192  0.597  0.751  1.0
  V  V2  1  0.389  0.806  0.269  1.0
  V  V3  1  0.616  0.206  0.740  1.0
  V  V4  1  0.840  0.384  0.304  1.0
  Cr  Cr5  1  0.081  0.079  0.744  1.0
  Cr  Cr6  1  0.921  0.915  0.254  1.0
  O  O7  1  0.003  0.801  0.647  1.0
  O  O8  1  0.043  0.364  0.693  1.0
  O  O9  1  0.191  0.971  0.147  1.0
  O  O10  1  0.426  0.696  0.605  1.0
  O  O11  1  0.375  0.098  0.753  1.0
  O  O12  1  0.326  0.625  0.100  1.0
  O  O13  1  0.697  0.392  0.910  1.0
  O  O14  1  0.634  0.912  0.275  1.0
  O  O15  1  0.594  0.313  0.421  1.0
  O  O16  1  0.800  0.014  0.847  1.0
  O  O17  1  0.884  0.658  0.175  1.0
  O  O18  1  0.982  0.162  0.367  1.0
[/CIF]
.