The crystal structure described by MgVCrO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Cr(1), and one Cr(2) atom to form distorted OMgVCr2 trigonal pyramids that share corners with three equivalent O(2)MgV2Cr trigonal pyramids, corners with three equivalent O(3)MgV2Cr trigonal pyramids, corners with six equivalent O(1)MgVCr2 trigonal pyramids,  an edgeedge with one O(2)MgV2Cr trigonal pyramid,  an edgeedge with one O(3)MgV2Cr trigonal pyramid, and  an edgeedge with one O(1)MgVCr2 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), two equivalent V(1), and one Cr(2) atom to form distorted OMgV2Cr trigonal pyramids that share corners with three equivalent O(2)MgV2Cr trigonal pyramids, corners with three equivalent O(3)MgV2Cr trigonal pyramids, corners with six equivalent O(1)MgVCr2 trigonal pyramids,  an edgeedge with one O(3)MgV2Cr trigonal pyramid, and edges with two equivalent O(1)MgVCr2 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), two equivalent V(1), and one Cr(1) atom to form distorted OMgV2Cr trigonal pyramids that share corners with three equivalent O(2)MgV2Cr trigonal pyramids, corners with three equivalent O(3)MgV2Cr trigonal pyramids, corners with six equivalent O(1)MgVCr2 trigonal pyramids,  an edgeedge with one O(2)MgV2Cr trigonal pyramid, and edges with two equivalent O(1)MgVCr2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgVCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.035
_cell_length_c   6.029
_cell_angle_alpha   90.241
_cell_angle_beta   120.043
_cell_angle_gamma   59.744
_symmetry_Int_Tables_number   1
_cell_volume   154.933
_cell_formula_units_Z   2
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  0.250  0.126  0.124  1.0
  Mg  Mg1  1  0.750  0.874  0.876  1.0
  V  V2  1  1.000  1.000  0.500  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  1.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.523  0.719  0.259  1.0
  O  O7  1  0.978  0.265  0.258  1.0
  O  O8  1  0.477  0.281  0.741  1.0
  O  O9  1  0.022  0.735  0.742  1.0
  O  O10  1  0.980  0.261  0.719  1.0
  O  O11  1  0.519  0.262  0.257  1.0
  O  O12  1  0.020  0.739  0.281  1.0
  O  O13  1  0.481  0.739  0.743  1.0
[/CIF]
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The crystal structure described by MgVCrO4 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Cr(1), and one Cr(2) atom to form distorted OMgVCr2 trigonal pyramids that share corners with three equivalent O(2)MgV2Cr trigonal pyramids, corners with three equivalent O(3)MgV2Cr trigonal pyramids, corners with six equivalent O(1)MgVCr2 trigonal pyramids,  an edgeedge with one O(2)MgV2Cr trigonal pyramid,  an edgeedge with one O(3)MgV2Cr trigonal pyramid, and  an edgeedge with one O(1)MgVCr2 trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), two equivalent V(1), and one Cr(2) atom to form distorted OMgV2Cr trigonal pyramids that share corners with three equivalent O(2)MgV2Cr trigonal pyramids, corners with three equivalent O(3)MgV2Cr trigonal pyramids, corners with six equivalent O(1)MgVCr2 trigonal pyramids,  an edgeedge with one O(3)MgV2Cr trigonal pyramid, and edges with two equivalent O(1)MgVCr2 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), two equivalent V(1), and one Cr(1) atom to form distorted OMgV2Cr trigonal pyramids that share corners with three equivalent O(2)MgV2Cr trigonal pyramids, corners with three equivalent O(3)MgV2Cr trigonal pyramids, corners with six equivalent O(1)MgVCr2 trigonal pyramids,  an edgeedge with one O(2)MgV2Cr trigonal pyramid, and edges with two equivalent O(1)MgVCr2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgVCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.035
_cell_length_c   6.029
_cell_angle_alpha   90.241
_cell_angle_beta   120.043
_cell_angle_gamma   59.744
_symmetry_Int_Tables_number   1
_cell_volume   154.933
_cell_formula_units_Z   2
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  0.250  0.126  0.124  1.0
  Mg  Mg1  1  0.750  0.874  0.876  1.0
  V  V2  1  1.000  1.000  0.500  1.0
  V  V3  1  0.500  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  1.000  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.523  0.719  0.259  1.0
  O  O7  1  0.978  0.265  0.258  1.0
  O  O8  1  0.477  0.281  0.741  1.0
  O  O9  1  0.022  0.735  0.742  1.0
  O  O10  1  0.980  0.261  0.719  1.0
  O  O11  1  0.519  0.262  0.257  1.0
  O  O12  1  0.020  0.739  0.281  1.0
  O  O13  1  0.481  0.739  0.743  1.0
[/CIF]
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