The structure described by MgVMoS4 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 Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. 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 Mo(1)S6 octahedra. Mo(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(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 Mo(1) atoms to form distorted SMgVMo2 trigonal pyramids that share corners with six equivalent S(2)MgV2Mo trigonal pyramids, corners with six equivalent S(1)MgVMo2 trigonal pyramids,  an edgeedge with one S(1)MgVMo2 trigonal pyramid, and edges with two equivalent S(2)MgV2Mo trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(1), and one Mo(1) atom to form distorted SMgV2Mo trigonal pyramids that share corners with six equivalent S(2)MgV2Mo trigonal pyramids, corners with six equivalent S(1)MgVMo2 trigonal pyramids,  an edgeedge with one S(2)MgV2Mo trigonal pyramid, and edges with two equivalent S(1)MgVMo2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.359
_cell_length_c   7.358
_cell_angle_alpha   60.489
_cell_angle_beta   60.301
_cell_angle_gamma   60.321
_symmetry_Int_Tables_number   1
_cell_volume   280.962
_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  0.872  0.878  0.878  1.0
  Mg  Mg1  1  0.128  0.122  0.122  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  1.000  0.500  0.500  1.0
  Mo  Mo4  1  0.500  0.500  0.000  1.0
  Mo  Mo5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.743  0.737  0.737  1.0
  S  S7  1  0.260  0.264  0.716  1.0
  S  S8  1  0.260  0.716  0.264  1.0
  S  S9  1  0.718  0.263  0.263  1.0
  S  S10  1  0.740  0.284  0.736  1.0
  S  S11  1  0.282  0.737  0.737  1.0
  S  S12  1  0.257  0.263  0.263  1.0
  S  S13  1  0.740  0.736  0.284  1.0
[/CIF]
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The structure described by MgVMoS4 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 Mo(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. 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 Mo(1)S6 octahedra. Mo(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(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 Mo(1) atoms to form distorted SMgVMo2 trigonal pyramids that share corners with six equivalent S(2)MgV2Mo trigonal pyramids, corners with six equivalent S(1)MgVMo2 trigonal pyramids,  an edgeedge with one S(1)MgVMo2 trigonal pyramid, and edges with two equivalent S(2)MgV2Mo trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent V(1), and one Mo(1) atom to form distorted SMgV2Mo trigonal pyramids that share corners with six equivalent S(2)MgV2Mo trigonal pyramids, corners with six equivalent S(1)MgVMo2 trigonal pyramids,  an edgeedge with one S(2)MgV2Mo trigonal pyramid, and edges with two equivalent S(1)MgVMo2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgVMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.277
_cell_length_b   7.359
_cell_length_c   7.358
_cell_angle_alpha   60.489
_cell_angle_beta   60.301
_cell_angle_gamma   60.321
_symmetry_Int_Tables_number   1
_cell_volume   280.962
_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  0.872  0.878  0.878  1.0
  Mg  Mg1  1  0.128  0.122  0.122  1.0
  V  V2  1  0.500  0.500  0.500  1.0
  V  V3  1  1.000  0.500  0.500  1.0
  Mo  Mo4  1  0.500  0.500  0.000  1.0
  Mo  Mo5  1  0.500  1.000  0.500  1.0
  S  S6  1  0.743  0.737  0.737  1.0
  S  S7  1  0.260  0.264  0.716  1.0
  S  S8  1  0.260  0.716  0.264  1.0
  S  S9  1  0.718  0.263  0.263  1.0
  S  S10  1  0.740  0.284  0.736  1.0
  S  S11  1  0.282  0.737  0.737  1.0
  S  S12  1  0.257  0.263  0.263  1.0
  S  S13  1  0.740  0.736  0.284  1.0
[/CIF]
.