The crystal structure described by CoGa2S4 crystallizes in the tetragonal I-4 space group. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra and corners with four equivalent Ga(2)S4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and corners with four equivalent Ga(2)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Co(1), one Ga(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Ga2CoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   131.583
_cell_angle_beta   131.583
_cell_angle_gamma   70.889
_symmetry_Int_Tables_number   1
_cell_volume   147.219
_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
  Ga  Ga0  1  0.500  0.500  0.000  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.114  0.621  0.989  1.0
  S  S4  1  0.875  0.886  0.508  1.0
  S  S5  1  0.379  0.367  0.492  1.0
  S  S6  1  0.633  0.125  0.011  1.0
[/CIF]
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The crystal structure described by CoGa2S4 crystallizes in the tetragonal I-4 space group. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra and corners with four equivalent Ga(2)S4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and corners with four equivalent Ga(2)S4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Co(1), one Ga(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Ga2CoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.453
_cell_length_b   6.453
_cell_length_c   6.453
_cell_angle_alpha   131.583
_cell_angle_beta   131.583
_cell_angle_gamma   70.889
_symmetry_Int_Tables_number   1
_cell_volume   147.219
_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
  Ga  Ga0  1  0.500  0.500  0.000  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.114  0.621  0.989  1.0
  S  S4  1  0.875  0.886  0.508  1.0
  S  S5  1  0.379  0.367  0.492  1.0
  S  S6  1  0.633  0.125  0.011  1.0
[/CIF]
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