The crystal structure described by Cr4GaS8 is beta indium sulfide-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SCr3Ga tetrahedra. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Cr4GaS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.983
_cell_length_c   6.982
_cell_angle_alpha   60.005
_cell_angle_beta   59.998
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   240.670
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.602  0.132  0.133  1.0
  Cr  Cr1  1  0.132  0.603  0.132  1.0
  Cr  Cr2  1  0.133  0.132  0.603  1.0
  Cr  Cr3  1  0.133  0.132  0.132  1.0
  Ga  Ga4  1  0.750  0.750  0.750  1.0
  S  S5  1  0.348  0.884  0.884  1.0
  S  S6  1  0.884  0.348  0.884  1.0
  S  S7  1  0.884  0.884  0.348  1.0
  S  S8  1  0.884  0.884  0.884  1.0
  S  S9  1  0.893  0.369  0.369  1.0
  S  S10  1  0.369  0.893  0.369  1.0
  S  S11  1  0.369  0.369  0.893  1.0
  S  S12  1  0.369  0.369  0.369  1.0
[/CIF]
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The crystal structure described by Cr4GaS8 is beta indium sulfide-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Ga(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SCr3Ga tetrahedra. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. is represented by the CIF card [CIF]
data_Cr4GaS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.983
_cell_length_c   6.982
_cell_angle_alpha   60.005
_cell_angle_beta   59.998
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   240.670
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.602  0.132  0.133  1.0
  Cr  Cr1  1  0.132  0.603  0.132  1.0
  Cr  Cr2  1  0.133  0.132  0.603  1.0
  Cr  Cr3  1  0.133  0.132  0.132  1.0
  Ga  Ga4  1  0.750  0.750  0.750  1.0
  S  S5  1  0.348  0.884  0.884  1.0
  S  S6  1  0.884  0.348  0.884  1.0
  S  S7  1  0.884  0.884  0.348  1.0
  S  S8  1  0.884  0.884  0.884  1.0
  S  S9  1  0.893  0.369  0.369  1.0
  S  S10  1  0.369  0.893  0.369  1.0
  S  S11  1  0.369  0.369  0.893  1.0
  S  S12  1  0.369  0.369  0.369  1.0
[/CIF]
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