The material described by Rb2SiS3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent Rb(2)S7 pentagonal bipyramids, corners with three equivalent Si(1)S4 tetrahedra, edges with four equivalent Rb(2)S7 pentagonal bipyramids, and edges with three equivalent Si(1)S4 tetrahedra. Si(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form SiS4 tetrahedra that share corners with three equivalent Rb(2)S7 pentagonal bipyramids, edges with three equivalent Rb(2)S7 pentagonal bipyramids, and  an edgeedge with one Si(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Si(1) atoms. In the second S site, S(2) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SRb5Si octahedra. The corner-sharing octahedral tilt angles range from 3-79°. In the third S site, S(3) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SRb5Si octahedra. The corner-sharing octahedral tilt angles range from 3-79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2SiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   7.504
_cell_length_c   8.637
_cell_angle_alpha   72.688
_cell_angle_beta   66.469
_cell_angle_gamma   62.644
_symmetry_Int_Tables_number   1
_cell_volume   360.352
_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
  Rb  Rb0  1  0.806  0.574  0.813  1.0
  Rb  Rb1  1  0.194  0.426  0.187  1.0
  Rb  Rb2  1  0.581  0.200  0.637  1.0
  Rb  Rb3  1  0.419  0.800  0.363  1.0
  Si  Si4  1  0.115  0.947  0.822  1.0
  Si  Si5  1  0.885  0.053  0.178  1.0
  S  S6  1  0.234  0.000  0.000  1.0
  S  S7  1  0.766  0.000  0.000  1.0
  S  S8  1  0.887  0.834  0.391  1.0
  S  S9  1  0.113  0.166  0.609  1.0
  S  S10  1  0.713  0.353  0.222  1.0
  S  S11  1  0.287  0.647  0.778  1.0
[/CIF]
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The material described by Rb2SiS3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent Rb(2)S7 pentagonal bipyramids, corners with three equivalent Si(1)S4 tetrahedra, edges with four equivalent Rb(2)S7 pentagonal bipyramids, and edges with three equivalent Si(1)S4 tetrahedra. Si(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form SiS4 tetrahedra that share corners with three equivalent Rb(2)S7 pentagonal bipyramids, edges with three equivalent Rb(2)S7 pentagonal bipyramids, and  an edgeedge with one Si(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Si(1) atoms. In the second S site, S(2) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SRb5Si octahedra. The corner-sharing octahedral tilt angles range from 3-79°. In the third S site, S(3) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing SRb5Si octahedra. The corner-sharing octahedral tilt angles range from 3-79°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2SiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   7.504
_cell_length_c   8.637
_cell_angle_alpha   72.688
_cell_angle_beta   66.469
_cell_angle_gamma   62.644
_symmetry_Int_Tables_number   1
_cell_volume   360.352
_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
  Rb  Rb0  1  0.806  0.574  0.813  1.0
  Rb  Rb1  1  0.194  0.426  0.187  1.0
  Rb  Rb2  1  0.581  0.200  0.637  1.0
  Rb  Rb3  1  0.419  0.800  0.363  1.0
  Si  Si4  1  0.115  0.947  0.822  1.0
  Si  Si5  1  0.885  0.053  0.178  1.0
  S  S6  1  0.234  0.000  0.000  1.0
  S  S7  1  0.766  0.000  0.000  1.0
  S  S8  1  0.887  0.834  0.391  1.0
  S  S9  1  0.113  0.166  0.609  1.0
  S  S10  1  0.713  0.353  0.222  1.0
  S  S11  1  0.287  0.647  0.778  1.0
[/CIF]
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