The structure described by MgV5CrO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent V(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O5 trigonal bipyramids. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(3)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and corners with three equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-71°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 27-44°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and edges with two equivalent V(3)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OMgV2Cr tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Cr(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV5CrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.056
_cell_length_b   7.055
_cell_length_c   5.535
_cell_angle_alpha   70.338
_cell_angle_beta   109.664
_cell_angle_gamma   103.716
_symmetry_Int_Tables_number   1
_cell_volume   241.925
_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  0.719  0.719  0.750  1.0
  V  V1  1  0.921  0.921  0.250  1.0
  V  V2  1  0.195  0.615  0.763  1.0
  V  V3  1  0.388  0.845  0.217  1.0
  V  V4  1  0.615  0.195  0.737  1.0
  V  V5  1  0.845  0.388  0.283  1.0
  Cr  Cr6  1  0.085  0.085  0.750  1.0
  O  O7  1  0.012  0.800  0.670  1.0
  O  O8  1  0.055  0.381  0.675  1.0
  O  O9  1  0.177  0.984  0.152  1.0
  O  O10  1  0.399  0.706  0.600  1.0
  O  O11  1  0.381  0.055  0.825  1.0
  O  O12  1  0.289  0.606  0.110  1.0
  O  O13  1  0.706  0.399  0.900  1.0
  O  O14  1  0.656  0.871  0.320  1.0
  O  O15  1  0.606  0.289  0.390  1.0
  O  O16  1  0.800  0.012  0.830  1.0
  O  O17  1  0.871  0.656  0.180  1.0
  O  O18  1  0.983  0.177  0.348  1.0
[/CIF]
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The structure described by MgV5CrO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent V(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O5 trigonal bipyramids. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(3)O5 trigonal bipyramids, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and corners with three equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-71°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 27-44°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with four equivalent V(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and edges with two equivalent V(3)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OMgV2Cr tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Cr(1) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV5CrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.056
_cell_length_b   7.055
_cell_length_c   5.535
_cell_angle_alpha   70.338
_cell_angle_beta   109.664
_cell_angle_gamma   103.716
_symmetry_Int_Tables_number   1
_cell_volume   241.925
_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  0.719  0.719  0.750  1.0
  V  V1  1  0.921  0.921  0.250  1.0
  V  V2  1  0.195  0.615  0.763  1.0
  V  V3  1  0.388  0.845  0.217  1.0
  V  V4  1  0.615  0.195  0.737  1.0
  V  V5  1  0.845  0.388  0.283  1.0
  Cr  Cr6  1  0.085  0.085  0.750  1.0
  O  O7  1  0.012  0.800  0.670  1.0
  O  O8  1  0.055  0.381  0.675  1.0
  O  O9  1  0.177  0.984  0.152  1.0
  O  O10  1  0.399  0.706  0.600  1.0
  O  O11  1  0.381  0.055  0.825  1.0
  O  O12  1  0.289  0.606  0.110  1.0
  O  O13  1  0.706  0.399  0.900  1.0
  O  O14  1  0.656  0.871  0.320  1.0
  O  O15  1  0.606  0.289  0.390  1.0
  O  O16  1  0.800  0.012  0.830  1.0
  O  O17  1  0.871  0.656  0.180  1.0
  O  O18  1  0.983  0.177  0.348  1.0
[/CIF]
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