The structure described by ZnGa2S4 crystallizes in the tetragonal I-4 space group. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 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 Zn(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 Zn(1)S4 tetrahedra and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Ga(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Zn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.309
_cell_length_b   5.309
_cell_length_c   6.420
_cell_angle_alpha   114.439
_cell_angle_beta   114.425
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   146.782
_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
  Zn  Zn0  1  0.250  0.750  0.500  1.0
  Ga  Ga1  1  1.000  1.000  1.000  1.0
  Ga  Ga2  1  0.750  0.250  0.500  1.0
  S  S3  1  0.131  0.621  0.760  1.0
  S  S4  1  0.379  0.371  0.240  1.0
  S  S5  1  0.629  0.139  0.760  1.0
  S  S6  1  0.861  0.869  0.240  1.0
[/CIF]
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The structure described by ZnGa2S4 crystallizes in the tetragonal I-4 space group. Zn(1) is bonded to four equivalent S(1) atoms to form ZnS4 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 Zn(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 Zn(1)S4 tetrahedra and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Ga(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Zn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.309
_cell_length_b   5.309
_cell_length_c   6.420
_cell_angle_alpha   114.439
_cell_angle_beta   114.425
_cell_angle_gamma   89.986
_symmetry_Int_Tables_number   1
_cell_volume   146.782
_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
  Zn  Zn0  1  0.250  0.750  0.500  1.0
  Ga  Ga1  1  1.000  1.000  1.000  1.0
  Ga  Ga2  1  0.750  0.250  0.500  1.0
  S  S3  1  0.131  0.621  0.760  1.0
  S  S4  1  0.379  0.371  0.240  1.0
  S  S5  1  0.629  0.139  0.760  1.0
  S  S6  1  0.861  0.869  0.240  1.0
[/CIF]
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