The compound described by MgMoGaS4 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 Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. 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 Ga(1)S6 octahedra. Ga(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form GaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ga(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), two equivalent Mo(1), and one Ga(1) atom to form distorted SMgGaMo2 trigonal pyramids that share corners with six equivalent S(2)MgGa2Mo trigonal pyramids, corners with six equivalent S(1)MgGaMo2 trigonal pyramids,  an edgeedge with one S(1)MgGaMo2 trigonal pyramid, and edges with two equivalent S(2)MgGa2Mo trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Mo(1), and two equivalent Ga(1) atoms to form distorted SMgGa2Mo trigonal pyramids that share corners with six equivalent S(2)MgGa2Mo trigonal pyramids, corners with six equivalent S(1)MgGaMo2 trigonal pyramids,  an edgeedge with one S(2)MgGa2Mo trigonal pyramid, and edges with two equivalent S(1)MgGaMo2 trigonal pyramids. is represented by the CIF file [CIF]
data_MgGaMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.359
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   60.341
_cell_angle_beta   60.167
_cell_angle_gamma   60.168
_symmetry_Int_Tables_number   1
_cell_volume   286.147
_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
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  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  0.000  0.500  1.0
  S  S6  1  0.740  0.738  0.738  1.0
  S  S7  1  0.261  0.261  0.716  1.0
  S  S8  1  0.261  0.716  0.261  1.0
  S  S9  1  0.716  0.262  0.262  1.0
  S  S10  1  0.739  0.284  0.739  1.0
  S  S11  1  0.284  0.738  0.738  1.0
  S  S12  1  0.260  0.262  0.262  1.0
  S  S13  1  0.739  0.739  0.284  1.0
[/CIF]
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The compound described by MgMoGaS4 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 Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. 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 Ga(1)S6 octahedra. Ga(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form GaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ga(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), two equivalent Mo(1), and one Ga(1) atom to form distorted SMgGaMo2 trigonal pyramids that share corners with six equivalent S(2)MgGa2Mo trigonal pyramids, corners with six equivalent S(1)MgGaMo2 trigonal pyramids,  an edgeedge with one S(1)MgGaMo2 trigonal pyramid, and edges with two equivalent S(2)MgGa2Mo trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Mo(1), and two equivalent Ga(1) atoms to form distorted SMgGa2Mo trigonal pyramids that share corners with six equivalent S(2)MgGa2Mo trigonal pyramids, corners with six equivalent S(1)MgGaMo2 trigonal pyramids,  an edgeedge with one S(2)MgGa2Mo trigonal pyramid, and edges with two equivalent S(1)MgGaMo2 trigonal pyramids. is represented by the CIF file [CIF]
data_MgGaMoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.359
_cell_length_b   7.397
_cell_length_c   7.397
_cell_angle_alpha   60.341
_cell_angle_beta   60.167
_cell_angle_gamma   60.168
_symmetry_Int_Tables_number   1
_cell_volume   286.147
_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
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  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  0.000  0.500  1.0
  S  S6  1  0.740  0.738  0.738  1.0
  S  S7  1  0.261  0.261  0.716  1.0
  S  S8  1  0.261  0.716  0.261  1.0
  S  S9  1  0.716  0.262  0.262  1.0
  S  S10  1  0.739  0.284  0.739  1.0
  S  S11  1  0.284  0.738  0.738  1.0
  S  S12  1  0.260  0.262  0.262  1.0
  S  S13  1  0.739  0.739  0.284  1.0
[/CIF]
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