The crystal structure described by CaGa2S4 crystallizes in the orthorhombic Cccm space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Ga(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing GaS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SCa2Ga2 trigonal pyramids. In the second S site, S(1) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing SCa2Ga2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   10.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.763
_symmetry_Int_Tables_number   1
_cell_volume   311.055
_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
  Ca  Ca0  1  0.500  0.500  0.750  1.0
  Ca  Ca1  1  0.500  0.500  0.250  1.0
  Ga  Ga2  1  0.768  0.236  0.500  1.0
  Ga  Ga3  1  0.232  0.764  0.500  1.0
  Ga  Ga4  1  0.764  0.232  0.000  1.0
  Ga  Ga5  1  0.236  0.768  0.000  1.0
  S  S6  1  0.354  0.191  0.500  1.0
  S  S7  1  0.646  0.809  0.500  1.0
  S  S8  1  0.809  0.646  0.000  1.0
  S  S9  1  0.191  0.354  0.000  1.0
  S  S10  1  0.500  0.000  0.830  1.0
  S  S11  1  0.000  0.500  0.670  1.0
  S  S12  1  0.500  0.000  0.170  1.0
  S  S13  1  0.000  0.500  0.330  1.0
[/CIF]
.
The crystal structure described by CaGa2S4 crystallizes in the orthorhombic Cccm space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Ga(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing GaS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(2) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SCa2Ga2 trigonal pyramids. In the second S site, S(1) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing SCa2Ga2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   10.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.763
_symmetry_Int_Tables_number   1
_cell_volume   311.055
_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
  Ca  Ca0  1  0.500  0.500  0.750  1.0
  Ca  Ca1  1  0.500  0.500  0.250  1.0
  Ga  Ga2  1  0.768  0.236  0.500  1.0
  Ga  Ga3  1  0.232  0.764  0.500  1.0
  Ga  Ga4  1  0.764  0.232  0.000  1.0
  Ga  Ga5  1  0.236  0.768  0.000  1.0
  S  S6  1  0.354  0.191  0.500  1.0
  S  S7  1  0.646  0.809  0.500  1.0
  S  S8  1  0.809  0.646  0.000  1.0
  S  S9  1  0.191  0.354  0.000  1.0
  S  S10  1  0.500  0.000  0.830  1.0
  S  S11  1  0.000  0.500  0.670  1.0
  S  S12  1  0.500  0.000  0.170  1.0
  S  S13  1  0.000  0.500  0.330  1.0
[/CIF]
.