The material described by Rb2GeS3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent Rb(1)S7 pentagonal bipyramids, corners with three equivalent Ge(1)S4 tetrahedra, edges with four equivalent Rb(1)S7 pentagonal bipyramids, and edges with three equivalent Ge(1)S4 tetrahedra. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. Ge(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form GeS4 tetrahedra that share corners with three equivalent Rb(1)S7 pentagonal bipyramids, edges with three equivalent Rb(1)S7 pentagonal bipyramids, and  an edgeedge with one Ge(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 6-75°. In the second S site, S(2) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 6-75°. In the third S site, S(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1) and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_Rb2GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.946
_cell_length_b   7.607
_cell_length_c   8.735
_cell_angle_alpha   72.506
_cell_angle_beta   66.573
_cell_angle_gamma   62.835
_symmetry_Int_Tables_number   1
_cell_volume   372.740
_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  0.082  0.200  0.636  1.0
  Rb  Rb1  1  0.918  0.800  0.364  1.0
  Rb  Rb2  1  0.690  0.434  0.186  1.0
  Rb  Rb3  1  0.310  0.566  0.814  1.0
  Ge  Ge4  1  0.381  0.055  0.184  1.0
  Ge  Ge5  1  0.619  0.945  0.816  1.0
  S  S6  1  0.615  0.173  0.598  1.0
  S  S7  1  0.385  0.827  0.402  1.0
  S  S8  1  0.794  0.636  0.776  1.0
  S  S9  1  0.742  0.000  0.000  1.0
  S  S10  1  0.258  0.000  0.000  1.0
  S  S11  1  0.206  0.364  0.224  1.0
[/CIF]
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The material described by Rb2GeS3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form distorted RbS7 pentagonal bipyramids that share corners with two equivalent Rb(1)S7 pentagonal bipyramids, corners with three equivalent Ge(1)S4 tetrahedra, edges with four equivalent Rb(1)S7 pentagonal bipyramids, and edges with three equivalent Ge(1)S4 tetrahedra. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to two equivalent S(1) and three equivalent S(2) atoms. Ge(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form GeS4 tetrahedra that share corners with three equivalent Rb(1)S7 pentagonal bipyramids, edges with three equivalent Rb(1)S7 pentagonal bipyramids, and  an edgeedge with one Ge(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 6-75°. In the second S site, S(2) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 6-75°. In the third S site, S(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1) and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_Rb2GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.946
_cell_length_b   7.607
_cell_length_c   8.735
_cell_angle_alpha   72.506
_cell_angle_beta   66.573
_cell_angle_gamma   62.835
_symmetry_Int_Tables_number   1
_cell_volume   372.740
_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  0.082  0.200  0.636  1.0
  Rb  Rb1  1  0.918  0.800  0.364  1.0
  Rb  Rb2  1  0.690  0.434  0.186  1.0
  Rb  Rb3  1  0.310  0.566  0.814  1.0
  Ge  Ge4  1  0.381  0.055  0.184  1.0
  Ge  Ge5  1  0.619  0.945  0.816  1.0
  S  S6  1  0.615  0.173  0.598  1.0
  S  S7  1  0.385  0.827  0.402  1.0
  S  S8  1  0.794  0.636  0.776  1.0
  S  S9  1  0.742  0.000  0.000  1.0
  S  S10  1  0.258  0.000  0.000  1.0
  S  S11  1  0.206  0.364  0.224  1.0
[/CIF]
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