The material structure described by Ga2S3 crystallizes in the monoclinic Cc space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form corner-sharing GaS4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form corner-sharing GaS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Ga(1) and one Ga(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ga2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.449
_cell_length_b   11.148
_cell_length_c   6.416
_cell_angle_alpha   30.309
_cell_angle_beta   54.115
_cell_angle_gamma   59.600
_symmetry_Int_Tables_number   1
_cell_volume   217.855
_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
  Ga  Ga0  1  0.003  0.998  0.019  1.0
  Ga  Ga1  1  1.000  0.673  0.978  1.0
  Ga  Ga2  1  0.503  0.335  0.014  1.0
  Ga  Ga3  1  0.500  0.660  0.998  1.0
  S  S4  1  0.137  0.995  0.253  1.0
  S  S5  1  0.120  0.326  0.257  1.0
  S  S6  1  0.620  0.007  0.235  1.0
  S  S7  1  0.116  0.663  0.261  1.0
  S  S8  1  0.637  0.339  0.237  1.0
  S  S9  1  0.616  0.670  0.250  1.0
[/CIF]
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The material structure described by Ga2S3 crystallizes in the monoclinic Cc space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form corner-sharing GaS4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form corner-sharing GaS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Ga(1) and one Ga(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_Ga2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.449
_cell_length_b   11.148
_cell_length_c   6.416
_cell_angle_alpha   30.309
_cell_angle_beta   54.115
_cell_angle_gamma   59.600
_symmetry_Int_Tables_number   1
_cell_volume   217.855
_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
  Ga  Ga0  1  0.003  0.998  0.019  1.0
  Ga  Ga1  1  1.000  0.673  0.978  1.0
  Ga  Ga2  1  0.503  0.335  0.014  1.0
  Ga  Ga3  1  0.500  0.660  0.998  1.0
  S  S4  1  0.137  0.995  0.253  1.0
  S  S5  1  0.120  0.326  0.257  1.0
  S  S6  1  0.620  0.007  0.235  1.0
  S  S7  1  0.116  0.663  0.261  1.0
  S  S8  1  0.637  0.339  0.237  1.0
  S  S9  1  0.616  0.670  0.250  1.0
[/CIF]
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