The compound described by MgMoMnS4 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 Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(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 Mn(1) atoms to form distorted SMgMn2Mo trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Mo trigonal pyramid, and edges with two equivalent S(2)MgMnMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Mn(1) atom to form distorted SMgMnMo2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(2)MgMnMo2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Mo trigonal pyramids. is represented by the CIF file [CIF]
data_MgMnMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.395
_cell_length_c   7.396
_cell_angle_alpha   59.228
_cell_angle_beta   59.789
_cell_angle_gamma   59.787
_symmetry_Int_Tables_number   1
_cell_volume   284.999
_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  0.880  0.870  0.870  1.0
  Mg  Mg1  1  0.120  0.130  0.130  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  Mo  Mo5  1  1.000  0.500  0.500  1.0
  S  S6  1  0.740  0.737  0.737  1.0
  S  S7  1  0.257  0.265  0.721  1.0
  S  S8  1  0.257  0.721  0.264  1.0
  S  S9  1  0.713  0.263  0.263  1.0
  S  S10  1  0.743  0.279  0.735  1.0
  S  S11  1  0.287  0.737  0.737  1.0
  S  S12  1  0.260  0.263  0.263  1.0
  S  S13  1  0.743  0.735  0.279  1.0
[/CIF]
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The compound described by MgMoMnS4 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 Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(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 Mn(1) atoms to form distorted SMgMn2Mo trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Mo trigonal pyramid, and edges with two equivalent S(2)MgMnMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Mn(1) atom to form distorted SMgMnMo2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(2)MgMnMo2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Mo trigonal pyramids. is represented by the CIF file [CIF]
data_MgMnMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.438
_cell_length_b   7.395
_cell_length_c   7.396
_cell_angle_alpha   59.228
_cell_angle_beta   59.789
_cell_angle_gamma   59.787
_symmetry_Int_Tables_number   1
_cell_volume   284.999
_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  0.880  0.870  0.870  1.0
  Mg  Mg1  1  0.120  0.130  0.130  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.500  0.500  0.500  1.0
  Mo  Mo5  1  1.000  0.500  0.500  1.0
  S  S6  1  0.740  0.737  0.737  1.0
  S  S7  1  0.257  0.265  0.721  1.0
  S  S8  1  0.257  0.721  0.264  1.0
  S  S9  1  0.713  0.263  0.263  1.0
  S  S10  1  0.743  0.279  0.735  1.0
  S  S11  1  0.287  0.737  0.737  1.0
  S  S12  1  0.260  0.263  0.263  1.0
  S  S13  1  0.743  0.735  0.279  1.0
[/CIF]
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