The crystal structure described by Rb3PS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Rb(1), four equivalent Rb(2), and one P(1) atom to form edge-sharing SRb5P octahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one P(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Rb(1), four equivalent Rb(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.331
_cell_length_b   9.344
_cell_length_c   11.048
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   963.292
_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  0.155  0.088  0.750  1.0
  Rb  Rb1  1  0.345  0.588  0.250  1.0
  Rb  Rb2  1  0.655  0.412  0.750  1.0
  Rb  Rb3  1  0.845  0.912  0.250  1.0
  Rb  Rb4  1  0.958  0.706  0.959  1.0
  Rb  Rb5  1  0.542  0.206  0.041  1.0
  Rb  Rb6  1  0.458  0.794  0.541  1.0
  Rb  Rb7  1  0.042  0.294  0.459  1.0
  Rb  Rb8  1  0.042  0.294  0.041  1.0
  Rb  Rb9  1  0.458  0.794  0.959  1.0
  Rb  Rb10  1  0.542  0.206  0.459  1.0
  Rb  Rb11  1  0.958  0.706  0.541  1.0
  P  P12  1  0.224  0.520  0.750  1.0
  P  P13  1  0.276  0.020  0.250  1.0
  P  P14  1  0.724  0.980  0.750  1.0
  P  P15  1  0.776  0.480  0.250  1.0
  S  S16  1  0.209  0.738  0.750  1.0
  S  S17  1  0.291  0.238  0.250  1.0
  S  S18  1  0.709  0.762  0.750  1.0
  S  S19  1  0.791  0.262  0.250  1.0
  S  S20  1  0.671  0.544  0.403  1.0
  S  S21  1  0.829  0.044  0.597  1.0
  S  S22  1  0.171  0.956  0.097  1.0
  S  S23  1  0.329  0.456  0.903  1.0
  S  S24  1  0.978  0.569  0.250  1.0
  S  S25  1  0.522  0.069  0.750  1.0
  S  S26  1  0.478  0.931  0.250  1.0
  S  S27  1  0.022  0.431  0.750  1.0
  S  S28  1  0.671  0.544  0.097  1.0
  S  S29  1  0.829  0.044  0.903  1.0
  S  S30  1  0.171  0.956  0.403  1.0
  S  S31  1  0.329  0.456  0.597  1.0
[/CIF]
.
The crystal structure described by Rb3PS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. P(1) is bonded in a tetrahedral geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Rb(1), four equivalent Rb(2), and one P(1) atom to form edge-sharing SRb5P octahedra. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one P(1) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Rb(1), four equivalent Rb(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.331
_cell_length_b   9.344
_cell_length_c   11.048
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   963.292
_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  0.155  0.088  0.750  1.0
  Rb  Rb1  1  0.345  0.588  0.250  1.0
  Rb  Rb2  1  0.655  0.412  0.750  1.0
  Rb  Rb3  1  0.845  0.912  0.250  1.0
  Rb  Rb4  1  0.958  0.706  0.959  1.0
  Rb  Rb5  1  0.542  0.206  0.041  1.0
  Rb  Rb6  1  0.458  0.794  0.541  1.0
  Rb  Rb7  1  0.042  0.294  0.459  1.0
  Rb  Rb8  1  0.042  0.294  0.041  1.0
  Rb  Rb9  1  0.458  0.794  0.959  1.0
  Rb  Rb10  1  0.542  0.206  0.459  1.0
  Rb  Rb11  1  0.958  0.706  0.541  1.0
  P  P12  1  0.224  0.520  0.750  1.0
  P  P13  1  0.276  0.020  0.250  1.0
  P  P14  1  0.724  0.980  0.750  1.0
  P  P15  1  0.776  0.480  0.250  1.0
  S  S16  1  0.209  0.738  0.750  1.0
  S  S17  1  0.291  0.238  0.250  1.0
  S  S18  1  0.709  0.762  0.750  1.0
  S  S19  1  0.791  0.262  0.250  1.0
  S  S20  1  0.671  0.544  0.403  1.0
  S  S21  1  0.829  0.044  0.597  1.0
  S  S22  1  0.171  0.956  0.097  1.0
  S  S23  1  0.329  0.456  0.903  1.0
  S  S24  1  0.978  0.569  0.250  1.0
  S  S25  1  0.522  0.069  0.750  1.0
  S  S26  1  0.478  0.931  0.250  1.0
  S  S27  1  0.022  0.431  0.750  1.0
  S  S28  1  0.671  0.544  0.097  1.0
  S  S29  1  0.829  0.044  0.903  1.0
  S  S30  1  0.171  0.956  0.403  1.0
  S  S31  1  0.329  0.456  0.597  1.0
[/CIF]
.