The crystal structure described by ZnGa2S4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form ZnS6 octahedra that share corners with two equivalent Ga(1)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, corners with four equivalent Ga(3)S4 tetrahedra, edges with two equivalent Zn(3)S6 octahedra, and edges with three equivalent Zn(2)S6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ZnS6 octahedra that share corners with two equivalent Ga(1)S4 tetrahedra, corners with four equivalent Ga(2)S4 tetrahedra,  an edgeedge with one Zn(3)S6 octahedra, edges with two equivalent Zn(2)S6 octahedra, and edges with three equivalent Zn(1)S6 octahedra. In the third Zn site, Zn(3) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(6) atoms to form ZnS6 octahedra that share corners with four equivalent Ga(1)S4 tetrahedra, corners with six equivalent Ga(3)S4 tetrahedra,  an edgeedge with one Zn(2)S6 octahedra, and edges with two equivalent Zn(1)S6 octahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(4), one S(5), and one S(6) atom to form GaS4 tetrahedra that share  a cornercorner with one Zn(1)S6 octahedra,  a cornercorner with one Zn(2)S6 octahedra, corners with two equivalent Zn(3)S6 octahedra, corners with two equivalent Ga(3)S4 tetrahedra, and corners with three equivalent Ga(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Ga site, Ga(2) is bonded to one S(2), one S(4), and two equivalent S(5) atoms to form GaS4 tetrahedra that share  a cornercorner with one Zn(1)S6 octahedra, corners with two equivalent Zn(2)S6 octahedra,  a cornercorner with one Ga(3)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, and corners with three equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the third Ga site, Ga(3) is bonded to one S(4), one S(6), and two equivalent S(3) atoms to form GaS4 tetrahedra that share corners with two equivalent Zn(1)S6 octahedra, corners with three equivalent Zn(3)S6 octahedra,  a cornercorner with one Ga(2)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and  an edgeedge with one Ga(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Zn(1), one Zn(2), one Zn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SZn3Ga tetrahedra. In the second S site, S(2) is bonded to one Zn(1), two equivalent Zn(2), and one Ga(2) atom to form a mixture of distorted corner and edge-sharing SZn3Ga tetrahedra. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), one Zn(3), and two equivalent Ga(3) atoms. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(2), and one Ga(3) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the sixth S site, S(6) is bonded in a trigonal planar geometry to one Zn(3), one Ga(1), and one Ga(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   12.475
_cell_length_c   13.040
_cell_angle_alpha   115.359
_cell_angle_beta   98.482
_cell_angle_gamma   101.786
_symmetry_Int_Tables_number   1
_cell_volume   887.109
_cell_formula_units_Z   6
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  0.124  0.874  0.749  1.0
  Zn  Zn1  1  0.876  0.126  0.251  1.0
  Zn  Zn2  1  0.294  0.044  0.087  1.0
  Zn  Zn3  1  0.706  0.956  0.913  1.0
  Zn  Zn4  1  0.465  0.215  0.430  1.0
  Zn  Zn5  1  0.535  0.785  0.570  1.0
  Ga  Ga6  1  0.534  0.160  0.746  1.0
  Ga  Ga7  1  0.713  0.586  0.746  1.0
  Ga  Ga8  1  0.466  0.840  0.254  1.0
  Ga  Ga9  1  0.287  0.414  0.254  1.0
  Ga  Ga10  1  0.701  0.324  0.082  1.0
  Ga  Ga11  1  0.880  0.757  0.082  1.0
  Ga  Ga12  1  0.299  0.676  0.918  1.0
  Ga  Ga13  1  0.120  0.243  0.918  1.0
  Ga  Ga14  1  0.861  0.515  0.405  1.0
  Ga  Ga15  1  0.044  0.890  0.405  1.0
  Ga  Ga16  1  0.139  0.485  0.595  1.0
  Ga  Ga17  1  0.956  0.110  0.595  1.0
  S  S18  1  0.484  0.970  0.736  1.0
  S  S19  1  0.752  0.766  0.736  1.0
  S  S20  1  0.516  0.030  0.264  1.0
  S  S21  1  0.248  0.234  0.264  1.0
  S  S22  1  0.660  0.146  0.086  1.0
  S  S23  1  0.926  0.941  0.086  1.0
  S  S24  1  0.340  0.854  0.914  1.0
  S  S25  1  0.074  0.059  0.914  1.0
  S  S26  1  0.846  0.342  0.433  1.0
  S  S27  1  0.086  0.091  0.433  1.0
  S  S28  1  0.154  0.658  0.567  1.0
  S  S29  1  0.914  0.909  0.567  1.0
  S  S30  1  0.984  0.489  0.237  1.0
  S  S31  1  0.754  0.748  0.237  1.0
  S  S32  1  0.016  0.511  0.763  1.0
  S  S33  1  0.246  0.252  0.763  1.0
  S  S34  1  0.814  0.319  0.917  1.0
  S  S35  1  0.603  0.598  0.917  1.0
  S  S36  1  0.186  0.681  0.083  1.0
  S  S37  1  0.397  0.402  0.083  1.0
  S  S38  1  0.660  0.180  0.599  1.0
  S  S39  1  0.439  0.419  0.599  1.0
  S  S40  1  0.340  0.820  0.401  1.0
  S  S41  1  0.561  0.581  0.401  1.0
[/CIF]
.
The crystal structure described by ZnGa2S4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form ZnS6 octahedra that share corners with two equivalent Ga(1)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, corners with four equivalent Ga(3)S4 tetrahedra, edges with two equivalent Zn(3)S6 octahedra, and edges with three equivalent Zn(2)S6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ZnS6 octahedra that share corners with two equivalent Ga(1)S4 tetrahedra, corners with four equivalent Ga(2)S4 tetrahedra,  an edgeedge with one Zn(3)S6 octahedra, edges with two equivalent Zn(2)S6 octahedra, and edges with three equivalent Zn(1)S6 octahedra. In the third Zn site, Zn(3) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(6) atoms to form ZnS6 octahedra that share corners with four equivalent Ga(1)S4 tetrahedra, corners with six equivalent Ga(3)S4 tetrahedra,  an edgeedge with one Zn(2)S6 octahedra, and edges with two equivalent Zn(1)S6 octahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(4), one S(5), and one S(6) atom to form GaS4 tetrahedra that share  a cornercorner with one Zn(1)S6 octahedra,  a cornercorner with one Zn(2)S6 octahedra, corners with two equivalent Zn(3)S6 octahedra, corners with two equivalent Ga(3)S4 tetrahedra, and corners with three equivalent Ga(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Ga site, Ga(2) is bonded to one S(2), one S(4), and two equivalent S(5) atoms to form GaS4 tetrahedra that share  a cornercorner with one Zn(1)S6 octahedra, corners with two equivalent Zn(2)S6 octahedra,  a cornercorner with one Ga(3)S4 tetrahedra, corners with two equivalent Ga(2)S4 tetrahedra, and corners with three equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the third Ga site, Ga(3) is bonded to one S(4), one S(6), and two equivalent S(3) atoms to form GaS4 tetrahedra that share corners with two equivalent Zn(1)S6 octahedra, corners with three equivalent Zn(3)S6 octahedra,  a cornercorner with one Ga(2)S4 tetrahedra, corners with two equivalent Ga(1)S4 tetrahedra, and  an edgeedge with one Ga(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-62°. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Zn(1), one Zn(2), one Zn(3), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SZn3Ga tetrahedra. In the second S site, S(2) is bonded to one Zn(1), two equivalent Zn(2), and one Ga(2) atom to form a mixture of distorted corner and edge-sharing SZn3Ga tetrahedra. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), one Zn(3), and two equivalent Ga(3) atoms. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(2), and one Ga(3) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the sixth S site, S(6) is bonded in a trigonal planar geometry to one Zn(3), one Ga(1), and one Ga(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(GaS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.395
_cell_length_b   12.475
_cell_length_c   13.040
_cell_angle_alpha   115.359
_cell_angle_beta   98.482
_cell_angle_gamma   101.786
_symmetry_Int_Tables_number   1
_cell_volume   887.109
_cell_formula_units_Z   6
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  0.124  0.874  0.749  1.0
  Zn  Zn1  1  0.876  0.126  0.251  1.0
  Zn  Zn2  1  0.294  0.044  0.087  1.0
  Zn  Zn3  1  0.706  0.956  0.913  1.0
  Zn  Zn4  1  0.465  0.215  0.430  1.0
  Zn  Zn5  1  0.535  0.785  0.570  1.0
  Ga  Ga6  1  0.534  0.160  0.746  1.0
  Ga  Ga7  1  0.713  0.586  0.746  1.0
  Ga  Ga8  1  0.466  0.840  0.254  1.0
  Ga  Ga9  1  0.287  0.414  0.254  1.0
  Ga  Ga10  1  0.701  0.324  0.082  1.0
  Ga  Ga11  1  0.880  0.757  0.082  1.0
  Ga  Ga12  1  0.299  0.676  0.918  1.0
  Ga  Ga13  1  0.120  0.243  0.918  1.0
  Ga  Ga14  1  0.861  0.515  0.405  1.0
  Ga  Ga15  1  0.044  0.890  0.405  1.0
  Ga  Ga16  1  0.139  0.485  0.595  1.0
  Ga  Ga17  1  0.956  0.110  0.595  1.0
  S  S18  1  0.484  0.970  0.736  1.0
  S  S19  1  0.752  0.766  0.736  1.0
  S  S20  1  0.516  0.030  0.264  1.0
  S  S21  1  0.248  0.234  0.264  1.0
  S  S22  1  0.660  0.146  0.086  1.0
  S  S23  1  0.926  0.941  0.086  1.0
  S  S24  1  0.340  0.854  0.914  1.0
  S  S25  1  0.074  0.059  0.914  1.0
  S  S26  1  0.846  0.342  0.433  1.0
  S  S27  1  0.086  0.091  0.433  1.0
  S  S28  1  0.154  0.658  0.567  1.0
  S  S29  1  0.914  0.909  0.567  1.0
  S  S30  1  0.984  0.489  0.237  1.0
  S  S31  1  0.754  0.748  0.237  1.0
  S  S32  1  0.016  0.511  0.763  1.0
  S  S33  1  0.246  0.252  0.763  1.0
  S  S34  1  0.814  0.319  0.917  1.0
  S  S35  1  0.603  0.598  0.917  1.0
  S  S36  1  0.186  0.681  0.083  1.0
  S  S37  1  0.397  0.402  0.083  1.0
  S  S38  1  0.660  0.180  0.599  1.0
  S  S39  1  0.439  0.419  0.599  1.0
  S  S40  1  0.340  0.820  0.401  1.0
  S  S41  1  0.561  0.581  0.401  1.0
[/CIF]
.