The structure described by PrBS3 crystallizes in the orthorhombic Pna2_1 space group. Pr(1) is bonded in a 9-coordinate geometry to three equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. B(1) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one B(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one B(1) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to three equivalent Pr(1) and one B(1) atom. is represented by the CIF file [CIF]
data_PrBS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   6.029
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.002
_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
  Pr  Pr0  1  0.886  0.072  0.433  1.0
  Pr  Pr1  1  0.114  0.928  0.933  1.0
  Pr  Pr2  1  0.614  0.572  0.933  1.0
  Pr  Pr3  1  0.386  0.428  0.433  1.0
  B  B4  1  0.854  0.596  0.605  1.0
  B  B5  1  0.146  0.404  0.105  1.0
  B  B6  1  0.646  0.096  0.105  1.0
  B  B7  1  0.354  0.904  0.605  1.0
  S  S8  1  0.827  0.835  0.726  1.0
  S  S9  1  0.173  0.165  0.226  1.0
  S  S10  1  0.673  0.335  0.226  1.0
  S  S11  1  0.327  0.665  0.726  1.0
  S  S12  1  0.204  0.134  0.635  1.0
  S  S13  1  0.796  0.866  0.135  1.0
  S  S14  1  0.296  0.634  0.135  1.0
  S  S15  1  0.704  0.366  0.635  1.0
  S  S16  1  0.998  0.595  0.446  1.0
  S  S17  1  0.002  0.405  0.946  1.0
  S  S18  1  0.502  0.095  0.946  1.0
  S  S19  1  0.498  0.905  0.446  1.0
[/CIF]
.
The structure described by PrBS3 crystallizes in the orthorhombic Pna2_1 space group. Pr(1) is bonded in a 9-coordinate geometry to three equivalent S(1), three equivalent S(2), and three equivalent S(3) atoms. B(1) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one B(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one B(1) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to three equivalent Pr(1) and one B(1) atom. is represented by the CIF file [CIF]
data_PrBS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   6.029
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.002
_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
  Pr  Pr0  1  0.886  0.072  0.433  1.0
  Pr  Pr1  1  0.114  0.928  0.933  1.0
  Pr  Pr2  1  0.614  0.572  0.933  1.0
  Pr  Pr3  1  0.386  0.428  0.433  1.0
  B  B4  1  0.854  0.596  0.605  1.0
  B  B5  1  0.146  0.404  0.105  1.0
  B  B6  1  0.646  0.096  0.105  1.0
  B  B7  1  0.354  0.904  0.605  1.0
  S  S8  1  0.827  0.835  0.726  1.0
  S  S9  1  0.173  0.165  0.226  1.0
  S  S10  1  0.673  0.335  0.226  1.0
  S  S11  1  0.327  0.665  0.726  1.0
  S  S12  1  0.204  0.134  0.635  1.0
  S  S13  1  0.796  0.866  0.135  1.0
  S  S14  1  0.296  0.634  0.135  1.0
  S  S15  1  0.704  0.366  0.635  1.0
  S  S16  1  0.998  0.595  0.446  1.0
  S  S17  1  0.002  0.405  0.946  1.0
  S  S18  1  0.502  0.095  0.946  1.0
  S  S19  1  0.498  0.905  0.446  1.0
[/CIF]
.