The structure described by MgMoCrS4 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 Mo(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Mo(1) is bonded to two equivalent S(1) and four equivalent S(2) 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 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 Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mo(1), and two equivalent Cr(1) atoms to form distorted SMgCr2Mo trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(1)MgCr2Mo trigonal pyramid, and edges with two equivalent S(2)MgCrMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Cr(1) atom to form distorted SMgCrMo2 trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(2)MgCrMo2 trigonal pyramid, and edges with two equivalent S(1)MgCr2Mo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.332
_cell_length_c   7.331
_cell_angle_alpha   59.732
_cell_angle_beta   59.808
_cell_angle_gamma   59.813
_symmetry_Int_Tables_number   1
_cell_volume   278.843
_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  0.876  0.874  0.874  1.0
  Mg  Mg1  1  0.124  0.126  0.126  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.500  1.000  0.500  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  Mo  Mo5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.730  0.741  0.741  1.0
  S  S7  1  0.265  0.254  0.716  1.0
  S  S8  1  0.265  0.716  0.254  1.0
  S  S9  1  0.712  0.259  0.259  1.0
  S  S10  1  0.735  0.284  0.746  1.0
  S  S11  1  0.288  0.741  0.741  1.0
  S  S12  1  0.270  0.259  0.259  1.0
  S  S13  1  0.735  0.746  0.284  1.0
[/CIF]
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The structure described by MgMoCrS4 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 Mo(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Mo(1) is bonded to two equivalent S(1) and four equivalent S(2) 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 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 Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mo(1), and two equivalent Cr(1) atoms to form distorted SMgCr2Mo trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(1)MgCr2Mo trigonal pyramid, and edges with two equivalent S(2)MgCrMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Cr(1) atom to form distorted SMgCrMo2 trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(2)MgCrMo2 trigonal pyramid, and edges with two equivalent S(1)MgCr2Mo trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCrMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.373
_cell_length_b   7.332
_cell_length_c   7.331
_cell_angle_alpha   59.732
_cell_angle_beta   59.808
_cell_angle_gamma   59.813
_symmetry_Int_Tables_number   1
_cell_volume   278.843
_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  0.876  0.874  0.874  1.0
  Mg  Mg1  1  0.124  0.126  0.126  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.500  1.000  0.500  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  Mo  Mo5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.730  0.741  0.741  1.0
  S  S7  1  0.265  0.254  0.716  1.0
  S  S8  1  0.265  0.716  0.254  1.0
  S  S9  1  0.712  0.259  0.259  1.0
  S  S10  1  0.735  0.284  0.746  1.0
  S  S11  1  0.288  0.741  0.741  1.0
  S  S12  1  0.270  0.259  0.259  1.0
  S  S13  1  0.735  0.746  0.284  1.0
[/CIF]
.