The compound described by Ga2Sn2S5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form corner-sharing GaS4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing GaS4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one S(3), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(2), and one Sn(2) atom. In the second S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Ga(1), one Ga(2), and one Sn(1) atom. In the third S site, S(2) is bonded in a water-like geometry to one Ga(1) and one Ga(2) atom. In the fourth S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one Ga(1), one Sn(1), and one Sn(2) atom. In the fifth S site, S(4) is bonded in a 3-coordinate geometry to one Ga(2), one Sn(1), and one Sn(2) atom. is represented by the CIF card [CIF]
data_Ga2Sn2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.325
_cell_length_b   10.963
_cell_length_c   12.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   871.385
_cell_formula_units_Z   4
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  0.644  0.115  0.768  1.0
  Ga  Ga1  1  0.356  0.615  0.232  1.0
  Ga  Ga2  1  0.856  0.115  0.268  1.0
  Ga  Ga3  1  0.144  0.615  0.732  1.0
  Ga  Ga4  1  0.150  0.281  0.819  1.0
  Ga  Ga5  1  0.850  0.781  0.181  1.0
  Ga  Ga6  1  0.350  0.281  0.319  1.0
  Ga  Ga7  1  0.650  0.781  0.681  1.0
  Sn  Sn8  1  0.548  0.483  0.540  1.0
  Sn  Sn9  1  0.452  0.983  0.460  1.0
  Sn  Sn10  1  0.952  0.483  0.040  1.0
  Sn  Sn11  1  0.048  0.983  0.960  1.0
  Sn  Sn12  1  0.552  0.255  0.020  1.0
  Sn  Sn13  1  0.448  0.755  0.980  1.0
  Sn  Sn14  1  0.948  0.255  0.520  1.0
  Sn  Sn15  1  0.052  0.755  0.480  1.0
  S  S16  1  0.477  0.966  0.672  1.0
  S  S17  1  0.523  0.466  0.328  1.0
  S  S18  1  0.023  0.966  0.172  1.0
  S  S19  1  0.977  0.466  0.828  1.0
  S  S20  1  0.508  0.802  0.228  1.0
  S  S21  1  0.492  0.302  0.772  1.0
  S  S22  1  0.992  0.802  0.728  1.0
  S  S23  1  0.008  0.302  0.272  1.0
  S  S24  1  0.144  0.538  0.561  1.0
  S  S25  1  0.856  0.038  0.439  1.0
  S  S26  1  0.356  0.538  0.061  1.0
  S  S27  1  0.644  0.038  0.939  1.0
  S  S28  1  0.642  0.721  0.506  1.0
  S  S29  1  0.358  0.221  0.494  1.0
  S  S30  1  0.858  0.721  0.006  1.0
  S  S31  1  0.142  0.221  0.994  1.0
  S  S32  1  0.987  0.139  0.712  1.0
  S  S33  1  0.013  0.639  0.288  1.0
  S  S34  1  0.513  0.139  0.212  1.0
  S  S35  1  0.487  0.639  0.788  1.0
[/CIF]
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The compound described by Ga2Sn2S5 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form corner-sharing GaS4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form corner-sharing GaS4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 3-coordinate geometry to one S(1), one S(3), and one S(4) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one S(3), one S(4), and one S(5) atom. There are five inequivalent S sites. In the first S site, S(5) is bonded in a trigonal non-coplanar geometry to one Ga(1), one Ga(2), and one Sn(2) atom. In the second S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Ga(1), one Ga(2), and one Sn(1) atom. In the third S site, S(2) is bonded in a water-like geometry to one Ga(1) and one Ga(2) atom. In the fourth S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one Ga(1), one Sn(1), and one Sn(2) atom. In the fifth S site, S(4) is bonded in a 3-coordinate geometry to one Ga(2), one Sn(1), and one Sn(2) atom. is represented by the CIF card [CIF]
data_Ga2Sn2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.325
_cell_length_b   10.963
_cell_length_c   12.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   871.385
_cell_formula_units_Z   4
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  0.644  0.115  0.768  1.0
  Ga  Ga1  1  0.356  0.615  0.232  1.0
  Ga  Ga2  1  0.856  0.115  0.268  1.0
  Ga  Ga3  1  0.144  0.615  0.732  1.0
  Ga  Ga4  1  0.150  0.281  0.819  1.0
  Ga  Ga5  1  0.850  0.781  0.181  1.0
  Ga  Ga6  1  0.350  0.281  0.319  1.0
  Ga  Ga7  1  0.650  0.781  0.681  1.0
  Sn  Sn8  1  0.548  0.483  0.540  1.0
  Sn  Sn9  1  0.452  0.983  0.460  1.0
  Sn  Sn10  1  0.952  0.483  0.040  1.0
  Sn  Sn11  1  0.048  0.983  0.960  1.0
  Sn  Sn12  1  0.552  0.255  0.020  1.0
  Sn  Sn13  1  0.448  0.755  0.980  1.0
  Sn  Sn14  1  0.948  0.255  0.520  1.0
  Sn  Sn15  1  0.052  0.755  0.480  1.0
  S  S16  1  0.477  0.966  0.672  1.0
  S  S17  1  0.523  0.466  0.328  1.0
  S  S18  1  0.023  0.966  0.172  1.0
  S  S19  1  0.977  0.466  0.828  1.0
  S  S20  1  0.508  0.802  0.228  1.0
  S  S21  1  0.492  0.302  0.772  1.0
  S  S22  1  0.992  0.802  0.728  1.0
  S  S23  1  0.008  0.302  0.272  1.0
  S  S24  1  0.144  0.538  0.561  1.0
  S  S25  1  0.856  0.038  0.439  1.0
  S  S26  1  0.356  0.538  0.061  1.0
  S  S27  1  0.644  0.038  0.939  1.0
  S  S28  1  0.642  0.721  0.506  1.0
  S  S29  1  0.358  0.221  0.494  1.0
  S  S30  1  0.858  0.721  0.006  1.0
  S  S31  1  0.142  0.221  0.994  1.0
  S  S32  1  0.987  0.139  0.712  1.0
  S  S33  1  0.013  0.639  0.288  1.0
  S  S34  1  0.513  0.139  0.212  1.0
  S  S35  1  0.487  0.639  0.788  1.0
[/CIF]
.