The crystal structure described by Rb2PS3 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent 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 one S(3), one S(4), one S(6), two equivalent S(1), and two equivalent S(2) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(4), two equivalent S(6), and three equivalent S(5) atoms. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and two equivalent S(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one S(4), one S(5), and one S(6) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are six inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(3), one Rb(4), two equivalent Rb(1), and one P(2) atom. In the second S site, S(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(4), two equivalent Rb(3), and one P(1) atom. In the third S site, S(5) is bonded in a 5-coordinate geometry to one Rb(4), three equivalent Rb(3), and one P(1) atom. In the fourth S site, S(6) is bonded in a 6-coordinate geometry to one Rb(2), two equivalent Rb(3), two equivalent Rb(4), and one P(1) atom. In the fifth S site, S(1) is bonded in a distorted single-bond geometry to one Rb(4), two equivalent Rb(1), two equivalent Rb(2), and one P(2) atom. In the sixth S site, S(2) is bonded in a 6-coordinate geometry to one Rb(4), two equivalent Rb(1), two equivalent Rb(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Rb2PS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.465
_cell_length_b   8.893
_cell_length_c   13.801
_cell_angle_alpha   87.530
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1528.515
_cell_formula_units_Z   8
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  0.727  0.208  0.099  1.0
  Rb  Rb1  1  0.227  0.292  0.901  1.0
  Rb  Rb2  1  0.273  0.792  0.901  1.0
  Rb  Rb3  1  0.773  0.708  0.099  1.0
  Rb  Rb4  1  0.434  0.841  0.175  1.0
  Rb  Rb5  1  0.934  0.659  0.825  1.0
  Rb  Rb6  1  0.566  0.159  0.825  1.0
  Rb  Rb7  1  0.066  0.341  0.175  1.0
  Rb  Rb8  1  0.314  0.622  0.568  1.0
  Rb  Rb9  1  0.814  0.878  0.432  1.0
  Rb  Rb10  1  0.686  0.378  0.432  1.0
  Rb  Rb11  1  0.186  0.122  0.568  1.0
  Rb  Rb12  1  0.127  0.772  0.291  1.0
  Rb  Rb13  1  0.627  0.728  0.709  1.0
  Rb  Rb14  1  0.873  0.228  0.709  1.0
  Rb  Rb15  1  0.373  0.272  0.291  1.0
  P  P16  1  0.498  0.930  0.431  1.0
  P  P17  1  0.998  0.570  0.569  1.0
  P  P18  1  0.502  0.070  0.569  1.0
  P  P19  1  0.002  0.430  0.431  1.0
  P  P20  1  0.035  0.941  0.069  1.0
  P  P21  1  0.535  0.559  0.931  1.0
  P  P22  1  0.965  0.059  0.931  1.0
  P  P23  1  0.465  0.441  0.069  1.0
  S  S24  1  0.314  0.526  0.086  1.0
  S  S25  1  0.814  0.974  0.914  1.0
  S  S26  1  0.686  0.474  0.914  1.0
  S  S27  1  0.186  0.026  0.086  1.0
  S  S28  1  0.040  0.716  0.045  1.0
  S  S29  1  0.540  0.784  0.955  1.0
  S  S30  1  0.960  0.284  0.955  1.0
  S  S31  1  0.460  0.216  0.045  1.0
  S  S32  1  0.564  0.493  0.180  1.0
  S  S33  1  0.064  0.007  0.820  1.0
  S  S34  1  0.436  0.507  0.820  1.0
  S  S35  1  0.936  0.993  0.180  1.0
  S  S36  1  0.412  0.956  0.672  1.0
  S  S37  1  0.912  0.544  0.328  1.0
  S  S38  1  0.588  0.044  0.328  1.0
  S  S39  1  0.088  0.456  0.672  1.0
  S  S40  1  0.057  0.777  0.533  1.0
  S  S41  1  0.557  0.723  0.467  1.0
  S  S42  1  0.943  0.223  0.467  1.0
  S  S43  1  0.443  0.277  0.533  1.0
  S  S44  1  0.339  0.925  0.396  1.0
  S  S45  1  0.839  0.575  0.604  1.0
  S  S46  1  0.661  0.075  0.604  1.0
  S  S47  1  0.161  0.425  0.396  1.0
[/CIF]
.
The crystal structure described by Rb2PS3 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent 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 one S(3), one S(4), one S(6), two equivalent S(1), and two equivalent S(2) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one S(3), two equivalent S(4), two equivalent S(6), and three equivalent S(5) atoms. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and two equivalent S(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one S(4), one S(5), and one S(6) atom. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are six inequivalent S sites. In the first S site, S(3) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(3), one Rb(4), two equivalent Rb(1), and one P(2) atom. In the second S site, S(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(4), two equivalent Rb(3), and one P(1) atom. In the third S site, S(5) is bonded in a 5-coordinate geometry to one Rb(4), three equivalent Rb(3), and one P(1) atom. In the fourth S site, S(6) is bonded in a 6-coordinate geometry to one Rb(2), two equivalent Rb(3), two equivalent Rb(4), and one P(1) atom. In the fifth S site, S(1) is bonded in a distorted single-bond geometry to one Rb(4), two equivalent Rb(1), two equivalent Rb(2), and one P(2) atom. In the sixth S site, S(2) is bonded in a 6-coordinate geometry to one Rb(4), two equivalent Rb(1), two equivalent Rb(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Rb2PS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.465
_cell_length_b   8.893
_cell_length_c   13.801
_cell_angle_alpha   87.530
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1528.515
_cell_formula_units_Z   8
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  0.727  0.208  0.099  1.0
  Rb  Rb1  1  0.227  0.292  0.901  1.0
  Rb  Rb2  1  0.273  0.792  0.901  1.0
  Rb  Rb3  1  0.773  0.708  0.099  1.0
  Rb  Rb4  1  0.434  0.841  0.175  1.0
  Rb  Rb5  1  0.934  0.659  0.825  1.0
  Rb  Rb6  1  0.566  0.159  0.825  1.0
  Rb  Rb7  1  0.066  0.341  0.175  1.0
  Rb  Rb8  1  0.314  0.622  0.568  1.0
  Rb  Rb9  1  0.814  0.878  0.432  1.0
  Rb  Rb10  1  0.686  0.378  0.432  1.0
  Rb  Rb11  1  0.186  0.122  0.568  1.0
  Rb  Rb12  1  0.127  0.772  0.291  1.0
  Rb  Rb13  1  0.627  0.728  0.709  1.0
  Rb  Rb14  1  0.873  0.228  0.709  1.0
  Rb  Rb15  1  0.373  0.272  0.291  1.0
  P  P16  1  0.498  0.930  0.431  1.0
  P  P17  1  0.998  0.570  0.569  1.0
  P  P18  1  0.502  0.070  0.569  1.0
  P  P19  1  0.002  0.430  0.431  1.0
  P  P20  1  0.035  0.941  0.069  1.0
  P  P21  1  0.535  0.559  0.931  1.0
  P  P22  1  0.965  0.059  0.931  1.0
  P  P23  1  0.465  0.441  0.069  1.0
  S  S24  1  0.314  0.526  0.086  1.0
  S  S25  1  0.814  0.974  0.914  1.0
  S  S26  1  0.686  0.474  0.914  1.0
  S  S27  1  0.186  0.026  0.086  1.0
  S  S28  1  0.040  0.716  0.045  1.0
  S  S29  1  0.540  0.784  0.955  1.0
  S  S30  1  0.960  0.284  0.955  1.0
  S  S31  1  0.460  0.216  0.045  1.0
  S  S32  1  0.564  0.493  0.180  1.0
  S  S33  1  0.064  0.007  0.820  1.0
  S  S34  1  0.436  0.507  0.820  1.0
  S  S35  1  0.936  0.993  0.180  1.0
  S  S36  1  0.412  0.956  0.672  1.0
  S  S37  1  0.912  0.544  0.328  1.0
  S  S38  1  0.588  0.044  0.328  1.0
  S  S39  1  0.088  0.456  0.672  1.0
  S  S40  1  0.057  0.777  0.533  1.0
  S  S41  1  0.557  0.723  0.467  1.0
  S  S42  1  0.943  0.223  0.467  1.0
  S  S43  1  0.443  0.277  0.533  1.0
  S  S44  1  0.339  0.925  0.396  1.0
  S  S45  1  0.839  0.575  0.604  1.0
  S  S46  1  0.661  0.075  0.604  1.0
  S  S47  1  0.161  0.425  0.396  1.0
[/CIF]
.