The material described by RbGa3S5 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one S(2), one S(4), two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form a mixture of corner and edge-sharing GaS4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing GaS4 tetrahedra. In the third Ga site, Ga(3) is bonded to one S(2), one S(3), one S(4), and one S(5) atom to form corner-sharing GaS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ga(1), and one Ga(2) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Ga(1), one Ga(2), and one Ga(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ga(2), and one Ga(3) atom. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Ga(1), one Ga(2), and one Ga(3) atom. In the fifth S site, S(5) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ga(1), and one Ga(3) atom. is represented by the CIF card [CIF]
data_RbGa3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.768
_cell_length_b   7.181
_cell_length_c   10.370
_cell_angle_alpha   76.616
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   924.965
_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
  Rb  Rb0  1  0.613  0.836  0.398  1.0
  Rb  Rb1  1  0.113  0.164  0.102  1.0
  Rb  Rb2  1  0.387  0.164  0.602  1.0
  Rb  Rb3  1  0.887  0.836  0.898  1.0
  Ga  Ga4  1  0.920  0.799  0.400  1.0
  Ga  Ga5  1  0.580  0.799  0.900  1.0
  Ga  Ga6  1  0.420  0.201  0.100  1.0
  Ga  Ga7  1  0.398  0.560  0.804  1.0
  Ga  Ga8  1  0.102  0.560  0.304  1.0
  Ga  Ga9  1  0.336  0.710  0.124  1.0
  Ga  Ga10  1  0.602  0.440  0.196  1.0
  Ga  Ga11  1  0.080  0.201  0.600  1.0
  Ga  Ga12  1  0.664  0.290  0.876  1.0
  Ga  Ga13  1  0.898  0.440  0.696  1.0
  Ga  Ga14  1  0.164  0.710  0.624  1.0
  Ga  Ga15  1  0.836  0.290  0.376  1.0
  S  S16  1  0.832  0.718  0.589  1.0
  S  S17  1  0.102  0.810  0.410  1.0
  S  S18  1  0.668  0.718  0.089  1.0
  S  S19  1  0.398  0.810  0.910  1.0
  S  S20  1  0.332  0.282  0.911  1.0
  S  S21  1  0.664  0.345  0.404  1.0
  S  S22  1  0.580  0.571  0.768  1.0
  S  S23  1  0.602  0.190  0.090  1.0
  S  S24  1  0.898  0.190  0.590  1.0
  S  S25  1  0.634  0.067  0.759  1.0
  S  S26  1  0.366  0.933  0.241  1.0
  S  S27  1  0.168  0.282  0.411  1.0
  S  S28  1  0.080  0.429  0.732  1.0
  S  S29  1  0.920  0.571  0.268  1.0
  S  S30  1  0.866  0.067  0.259  1.0
  S  S31  1  0.134  0.933  0.741  1.0
  S  S32  1  0.836  0.345  0.904  1.0
  S  S33  1  0.336  0.655  0.596  1.0
  S  S34  1  0.420  0.429  0.232  1.0
  S  S35  1  0.164  0.655  0.096  1.0
[/CIF]
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The material described by RbGa3S5 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one S(2), one S(4), two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form a mixture of corner and edge-sharing GaS4 tetrahedra. In the second Ga site, Ga(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of corner and edge-sharing GaS4 tetrahedra. In the third Ga site, Ga(3) is bonded to one S(2), one S(3), one S(4), and one S(5) atom to form corner-sharing GaS4 tetrahedra. There are five inequivalent S sites. In the first S site, S(1) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ga(1), and one Ga(2) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Ga(1), one Ga(2), and one Ga(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ga(2), and one Ga(3) atom. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Ga(1), one Ga(2), and one Ga(3) atom. In the fifth S site, S(5) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ga(1), and one Ga(3) atom. is represented by the CIF card [CIF]
data_RbGa3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.768
_cell_length_b   7.181
_cell_length_c   10.370
_cell_angle_alpha   76.616
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   924.965
_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
  Rb  Rb0  1  0.613  0.836  0.398  1.0
  Rb  Rb1  1  0.113  0.164  0.102  1.0
  Rb  Rb2  1  0.387  0.164  0.602  1.0
  Rb  Rb3  1  0.887  0.836  0.898  1.0
  Ga  Ga4  1  0.920  0.799  0.400  1.0
  Ga  Ga5  1  0.580  0.799  0.900  1.0
  Ga  Ga6  1  0.420  0.201  0.100  1.0
  Ga  Ga7  1  0.398  0.560  0.804  1.0
  Ga  Ga8  1  0.102  0.560  0.304  1.0
  Ga  Ga9  1  0.336  0.710  0.124  1.0
  Ga  Ga10  1  0.602  0.440  0.196  1.0
  Ga  Ga11  1  0.080  0.201  0.600  1.0
  Ga  Ga12  1  0.664  0.290  0.876  1.0
  Ga  Ga13  1  0.898  0.440  0.696  1.0
  Ga  Ga14  1  0.164  0.710  0.624  1.0
  Ga  Ga15  1  0.836  0.290  0.376  1.0
  S  S16  1  0.832  0.718  0.589  1.0
  S  S17  1  0.102  0.810  0.410  1.0
  S  S18  1  0.668  0.718  0.089  1.0
  S  S19  1  0.398  0.810  0.910  1.0
  S  S20  1  0.332  0.282  0.911  1.0
  S  S21  1  0.664  0.345  0.404  1.0
  S  S22  1  0.580  0.571  0.768  1.0
  S  S23  1  0.602  0.190  0.090  1.0
  S  S24  1  0.898  0.190  0.590  1.0
  S  S25  1  0.634  0.067  0.759  1.0
  S  S26  1  0.366  0.933  0.241  1.0
  S  S27  1  0.168  0.282  0.411  1.0
  S  S28  1  0.080  0.429  0.732  1.0
  S  S29  1  0.920  0.571  0.268  1.0
  S  S30  1  0.866  0.067  0.259  1.0
  S  S31  1  0.134  0.933  0.741  1.0
  S  S32  1  0.836  0.345  0.904  1.0
  S  S33  1  0.336  0.655  0.596  1.0
  S  S34  1  0.420  0.429  0.232  1.0
  S  S35  1  0.164  0.655  0.096  1.0
[/CIF]
.