The crystal structure described by MgVCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent V(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one V(1), and two equivalent Cr(1) atoms to form distorted SMgVCr2 trigonal pyramids that share corners with six equivalent S(2)MgV2Cr trigonal pyramids, corners with six equivalent S(1)MgVCr2 trigonal pyramids,  an edgeedge with one S(1)MgVCr2 trigonal pyramid, and edges with two equivalent S(2)MgV2Cr trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(1), and one Cr(1) atom to form distorted SMgV2Cr trigonal pyramids that share corners with six equivalent S(2)MgV2Cr trigonal pyramids, corners with six equivalent S(1)MgVCr2 trigonal pyramids,  an edgeedge with one S(2)MgV2Cr trigonal pyramid, and edges with two equivalent S(1)MgVCr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.115
_cell_length_b   7.249
_cell_length_c   7.249
_cell_angle_alpha   60.283
_cell_angle_beta   60.590
_cell_angle_gamma   60.594
_symmetry_Int_Tables_number   1
_cell_volume   267.264
_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  0.874  0.876  0.876  1.0
  Mg  Mg1  1  0.126  0.124  0.124  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.265  0.257  0.714  1.0
  S  S8  1  0.265  0.714  0.257  1.0
  S  S9  1  0.711  0.263  0.263  1.0
  S  S10  1  0.735  0.286  0.743  1.0
  S  S11  1  0.289  0.737  0.737  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.735  0.743  0.286  1.0
[/CIF]
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The crystal structure described by MgVCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent V(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one V(1), and two equivalent Cr(1) atoms to form distorted SMgVCr2 trigonal pyramids that share corners with six equivalent S(2)MgV2Cr trigonal pyramids, corners with six equivalent S(1)MgVCr2 trigonal pyramids,  an edgeedge with one S(1)MgVCr2 trigonal pyramid, and edges with two equivalent S(2)MgV2Cr trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(1), and one Cr(1) atom to form distorted SMgV2Cr trigonal pyramids that share corners with six equivalent S(2)MgV2Cr trigonal pyramids, corners with six equivalent S(1)MgVCr2 trigonal pyramids,  an edgeedge with one S(2)MgV2Cr trigonal pyramid, and edges with two equivalent S(1)MgVCr2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.115
_cell_length_b   7.249
_cell_length_c   7.249
_cell_angle_alpha   60.283
_cell_angle_beta   60.590
_cell_angle_gamma   60.594
_symmetry_Int_Tables_number   1
_cell_volume   267.264
_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  0.874  0.876  0.876  1.0
  Mg  Mg1  1  0.126  0.124  0.124  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.500  0.000  1.0
  Cr  Cr5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.265  0.257  0.714  1.0
  S  S8  1  0.265  0.714  0.257  1.0
  S  S9  1  0.711  0.263  0.263  1.0
  S  S10  1  0.735  0.286  0.743  1.0
  S  S11  1  0.289  0.737  0.737  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.735  0.743  0.286  1.0
[/CIF]
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