The compound described by MgGa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Ga(1) is bonded to six equivalent S(1) atoms to form GaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Ga(1)S6 octahedra. S(1) is bonded to one Mg(1) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SMgGa3 trigonal pyramids. is represented by the CIF card [CIF]
data_Mg(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.284
_cell_length_b   7.283
_cell_length_c   7.284
_cell_angle_alpha   60.001
_cell_angle_beta   59.999
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   273.225
_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  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  1.000  1.0
  Ga  Ga4  1  1.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.739  0.739  0.739  1.0
  S  S7  1  0.261  0.261  0.717  1.0
  S  S8  1  0.261  0.717  0.261  1.0
  S  S9  1  0.717  0.261  0.261  1.0
  S  S10  1  0.739  0.283  0.739  1.0
  S  S11  1  0.283  0.739  0.739  1.0
  S  S12  1  0.261  0.261  0.261  1.0
  S  S13  1  0.739  0.739  0.283  1.0
[/CIF]
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The compound described by MgGa2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with twelve equivalent Ga(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Ga(1) is bonded to six equivalent S(1) atoms to form GaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Ga(1)S6 octahedra. S(1) is bonded to one Mg(1) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SMgGa3 trigonal pyramids. is represented by the CIF card [CIF]
data_Mg(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.284
_cell_length_b   7.283
_cell_length_c   7.284
_cell_angle_alpha   60.001
_cell_angle_beta   59.999
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   273.225
_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  0.875  0.875  0.875  1.0
  Mg  Mg1  1  0.125  0.125  0.125  1.0
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.500  1.000  1.0
  Ga  Ga4  1  1.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.739  0.739  0.739  1.0
  S  S7  1  0.261  0.261  0.717  1.0
  S  S8  1  0.261  0.717  0.261  1.0
  S  S9  1  0.717  0.261  0.261  1.0
  S  S10  1  0.739  0.283  0.739  1.0
  S  S11  1  0.283  0.739  0.739  1.0
  S  S12  1  0.261  0.261  0.261  1.0
  S  S13  1  0.739  0.739  0.283  1.0
[/CIF]
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