The crystal structure described by Zn3(GaS3)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(3) and three equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with two equivalent Zn(1)S4 tetrahedra, corners with five equivalent Ga(1)S5 trigonal bipyramids, and edges with two equivalent Zn(1)S4 tetrahedra. In the second Zn site, Zn(2) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Ga(1) is bonded to one S(2), two equivalent S(1), and two equivalent S(3) atoms to form GaS5 trigonal bipyramids that share corners with five equivalent Zn(1)S4 tetrahedra and edges with two equivalent Ga(1)S5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Zn(2) and two equivalent Ga(1) atoms. In the second S site, S(2) is bonded to three equivalent Zn(1) and one Ga(1) atom to form a mixture of edge and corner-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(2), and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Zn3(GaS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.798
_cell_length_c   6.880
_cell_angle_alpha   81.484
_cell_angle_beta   81.484
_cell_angle_gamma   111.275
_symmetry_Int_Tables_number   1
_cell_volume   478.927
_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
  Zn  Zn0  1  0.307  0.480  0.517  1.0
  Zn  Zn1  1  0.520  0.693  0.983  1.0
  Zn  Zn2  1  0.693  0.520  0.483  1.0
  Zn  Zn3  1  0.480  0.307  0.017  1.0
  Zn  Zn4  1  0.180  0.820  0.250  1.0
  Zn  Zn5  1  0.820  0.180  0.750  1.0
  Ga  Ga6  1  0.986  0.672  0.862  1.0
  Ga  Ga7  1  0.328  0.014  0.638  1.0
  Ga  Ga8  1  0.014  0.328  0.138  1.0
  Ga  Ga9  1  0.672  0.986  0.362  1.0
  S  S10  1  0.138  0.916  0.957  1.0
  S  S11  1  0.084  0.862  0.543  1.0
  S  S12  1  0.862  0.084  0.043  1.0
  S  S13  1  0.916  0.138  0.457  1.0
  S  S14  1  0.296  0.429  0.170  1.0
  S  S15  1  0.571  0.704  0.330  1.0
  S  S16  1  0.704  0.571  0.830  1.0
  S  S17  1  0.429  0.296  0.670  1.0
  S  S18  1  0.535  0.924  0.737  1.0
  S  S19  1  0.076  0.465  0.763  1.0
  S  S20  1  0.465  0.076  0.263  1.0
  S  S21  1  0.924  0.535  0.237  1.0
[/CIF]
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The crystal structure described by Zn3(GaS3)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(3) and three equivalent S(2) atoms to form ZnS4 tetrahedra that share corners with two equivalent Zn(1)S4 tetrahedra, corners with five equivalent Ga(1)S5 trigonal bipyramids, and edges with two equivalent Zn(1)S4 tetrahedra. In the second Zn site, Zn(2) is bonded in a see-saw-like geometry to two equivalent S(1) and two equivalent S(3) atoms. Ga(1) is bonded to one S(2), two equivalent S(1), and two equivalent S(3) atoms to form GaS5 trigonal bipyramids that share corners with five equivalent Zn(1)S4 tetrahedra and edges with two equivalent Ga(1)S5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Zn(2) and two equivalent Ga(1) atoms. In the second S site, S(2) is bonded to three equivalent Zn(1) and one Ga(1) atom to form a mixture of edge and corner-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(2), and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Zn3(GaS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.798
_cell_length_b   8.798
_cell_length_c   6.880
_cell_angle_alpha   81.484
_cell_angle_beta   81.484
_cell_angle_gamma   111.275
_symmetry_Int_Tables_number   1
_cell_volume   478.927
_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
  Zn  Zn0  1  0.307  0.480  0.517  1.0
  Zn  Zn1  1  0.520  0.693  0.983  1.0
  Zn  Zn2  1  0.693  0.520  0.483  1.0
  Zn  Zn3  1  0.480  0.307  0.017  1.0
  Zn  Zn4  1  0.180  0.820  0.250  1.0
  Zn  Zn5  1  0.820  0.180  0.750  1.0
  Ga  Ga6  1  0.986  0.672  0.862  1.0
  Ga  Ga7  1  0.328  0.014  0.638  1.0
  Ga  Ga8  1  0.014  0.328  0.138  1.0
  Ga  Ga9  1  0.672  0.986  0.362  1.0
  S  S10  1  0.138  0.916  0.957  1.0
  S  S11  1  0.084  0.862  0.543  1.0
  S  S12  1  0.862  0.084  0.043  1.0
  S  S13  1  0.916  0.138  0.457  1.0
  S  S14  1  0.296  0.429  0.170  1.0
  S  S15  1  0.571  0.704  0.330  1.0
  S  S16  1  0.704  0.571  0.830  1.0
  S  S17  1  0.429  0.296  0.670  1.0
  S  S18  1  0.535  0.924  0.737  1.0
  S  S19  1  0.076  0.465  0.763  1.0
  S  S20  1  0.465  0.076  0.263  1.0
  S  S21  1  0.924  0.535  0.237  1.0
[/CIF]
.