The crystal structure described by PaS3 crystallizes in the orthorhombic Cmcm space group. Pa(1) is bonded to four equivalent S(2) and eight equivalent S(1) atoms to form a mixture of face and corner-sharing PaS12 cuboctahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to four equivalent Pa(1) atoms. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to four equivalent Pa(1) atoms. is represented by the CIF file [CIF]
data_PaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.825
_cell_length_c   4.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.123
_symmetry_Int_Tables_number   1
_cell_volume   145.705
_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
  Pa  Pa0  1  0.667  0.333  0.250  1.0
  Pa  Pa1  1  0.333  0.667  0.750  1.0
  S  S2  1  0.823  0.177  0.750  1.0
  S  S3  1  0.355  0.177  0.750  1.0
  S  S4  1  0.823  0.645  0.750  1.0
  S  S5  1  0.177  0.823  0.250  1.0
  S  S6  1  0.645  0.823  0.250  1.0
  S  S7  1  0.177  0.355  0.250  1.0
[/CIF]
.
The crystal structure described by PaS3 crystallizes in the orthorhombic Cmcm space group. Pa(1) is bonded to four equivalent S(2) and eight equivalent S(1) atoms to form a mixture of face and corner-sharing PaS12 cuboctahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted see-saw-like geometry to four equivalent Pa(1) atoms. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to four equivalent Pa(1) atoms. is represented by the CIF file [CIF]
data_PaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.825
_cell_length_c   4.954
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.123
_symmetry_Int_Tables_number   1
_cell_volume   145.705
_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
  Pa  Pa0  1  0.667  0.333  0.250  1.0
  Pa  Pa1  1  0.333  0.667  0.750  1.0
  S  S2  1  0.823  0.177  0.750  1.0
  S  S3  1  0.355  0.177  0.750  1.0
  S  S4  1  0.823  0.645  0.750  1.0
  S  S5  1  0.177  0.823  0.250  1.0
  S  S6  1  0.645  0.823  0.250  1.0
  S  S7  1  0.177  0.355  0.250  1.0
[/CIF]
.