The material described by RbPS3 crystallizes in the orthorhombic Immm space group. Rb(1) is bonded in a distorted q6 geometry to two equivalent S(1) and eight equivalent S(2) atoms. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing PS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb(1) and two equivalent P(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.257
_cell_length_c   7.257
_cell_angle_alpha   72.938
_cell_angle_beta   61.056
_cell_angle_gamma   61.056
_symmetry_Int_Tables_number   1
_cell_volume   282.468
_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  0.500  0.740  0.260  1.0
  Rb  Rb1  1  0.500  0.260  0.740  1.0
  P  P2  1  0.159  0.341  0.341  1.0
  P  P3  1  0.841  0.659  0.659  1.0
  S  S4  1  0.000  0.320  0.680  1.0
  S  S5  1  0.026  0.233  0.233  1.0
  S  S6  1  0.493  0.767  0.767  1.0
  S  S7  1  0.000  0.680  0.320  1.0
  S  S8  1  0.507  0.233  0.233  1.0
  S  S9  1  0.974  0.767  0.767  1.0
[/CIF]
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The material described by RbPS3 crystallizes in the orthorhombic Immm space group. Rb(1) is bonded in a distorted q6 geometry to two equivalent S(1) and eight equivalent S(2) atoms. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing PS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb(1) and two equivalent P(1) atoms. In the second S site, S(2) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.024
_cell_length_b   7.257
_cell_length_c   7.257
_cell_angle_alpha   72.938
_cell_angle_beta   61.056
_cell_angle_gamma   61.056
_symmetry_Int_Tables_number   1
_cell_volume   282.468
_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  0.500  0.740  0.260  1.0
  Rb  Rb1  1  0.500  0.260  0.740  1.0
  P  P2  1  0.159  0.341  0.341  1.0
  P  P3  1  0.841  0.659  0.659  1.0
  S  S4  1  0.000  0.320  0.680  1.0
  S  S5  1  0.026  0.233  0.233  1.0
  S  S6  1  0.493  0.767  0.767  1.0
  S  S7  1  0.000  0.680  0.320  1.0
  S  S8  1  0.507  0.233  0.233  1.0
  S  S9  1  0.974  0.767  0.767  1.0
[/CIF]
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