The material structure described by MgMnGaS4 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 Mn(1)S6 octahedra and corners with six equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 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 Mn(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Mn(1), and one Ga(1) atom to form distorted SMgMn2Ga trigonal pyramids that share corners with six equivalent S(1)MgMn2Ga trigonal pyramids, corners with six equivalent S(2)MgMnGa2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Ga trigonal pyramid, and edges with two equivalent S(2)MgMnGa2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Mn(1), and two equivalent Ga(1) atoms to form distorted SMgMnGa2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Ga trigonal pyramids, corners with six equivalent S(2)MgMnGa2 trigonal pyramids,  an edgeedge with one S(2)MgMnGa2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Ga trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnGaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.345
_cell_length_b   7.285
_cell_length_c   7.286
_cell_angle_alpha   60.409
_cell_angle_beta   59.750
_cell_angle_gamma   59.703
_symmetry_Int_Tables_number   1
_cell_volume   275.363
_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
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Ga  Ga4  1  0.500  0.500  0.500  1.0
  Ga  Ga5  1  1.000  0.500  0.500  1.0
  S  S6  1  0.737  0.740  0.739  1.0
  S  S7  1  0.264  0.258  0.715  1.0
  S  S8  1  0.264  0.715  0.258  1.0
  S  S9  1  0.716  0.260  0.260  1.0
  S  S10  1  0.736  0.285  0.742  1.0
  S  S11  1  0.284  0.740  0.740  1.0
  S  S12  1  0.263  0.260  0.261  1.0
  S  S13  1  0.736  0.742  0.285  1.0
[/CIF]
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The material structure described by MgMnGaS4 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 Mn(1)S6 octahedra and corners with six equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 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 Mn(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), two equivalent Mn(1), and one Ga(1) atom to form distorted SMgMn2Ga trigonal pyramids that share corners with six equivalent S(1)MgMn2Ga trigonal pyramids, corners with six equivalent S(2)MgMnGa2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Ga trigonal pyramid, and edges with two equivalent S(2)MgMnGa2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), one Mn(1), and two equivalent Ga(1) atoms to form distorted SMgMnGa2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Ga trigonal pyramids, corners with six equivalent S(2)MgMnGa2 trigonal pyramids,  an edgeedge with one S(2)MgMnGa2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Ga trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnGaS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.345
_cell_length_b   7.285
_cell_length_c   7.286
_cell_angle_alpha   60.409
_cell_angle_beta   59.750
_cell_angle_gamma   59.703
_symmetry_Int_Tables_number   1
_cell_volume   275.363
_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
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Ga  Ga4  1  0.500  0.500  0.500  1.0
  Ga  Ga5  1  1.000  0.500  0.500  1.0
  S  S6  1  0.737  0.740  0.739  1.0
  S  S7  1  0.264  0.258  0.715  1.0
  S  S8  1  0.264  0.715  0.258  1.0
  S  S9  1  0.716  0.260  0.260  1.0
  S  S10  1  0.736  0.285  0.742  1.0
  S  S11  1  0.284  0.740  0.740  1.0
  S  S12  1  0.263  0.260  0.261  1.0
  S  S13  1  0.736  0.742  0.285  1.0
[/CIF]
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