The structure described by PrSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded to four equivalent S(1) and three equivalent Br(1) atoms to form a mixture of distorted edge and corner-sharing PrS4Br3 pentagonal bipyramids. S(1) is bonded to four equivalent Pr(1) atoms to form a mixture of edge and corner-sharing SPr4 tetrahedra. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.148
_cell_length_b   7.020
_cell_length_c   7.085
_cell_angle_alpha   80.381
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.483
_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  0.965  0.790  0.318  1.0
  Pr  Pr1  1  0.035  0.210  0.682  1.0
  Pr  Pr2  1  0.465  0.710  0.682  1.0
  Pr  Pr3  1  0.535  0.290  0.318  1.0
  S  S4  1  0.741  0.992  0.552  1.0
  S  S5  1  0.259  0.008  0.448  1.0
  S  S6  1  0.241  0.508  0.448  1.0
  S  S7  1  0.759  0.492  0.552  1.0
  Br  Br8  1  0.616  0.711  0.085  1.0
  Br  Br9  1  0.384  0.289  0.915  1.0
  Br  Br10  1  0.116  0.789  0.915  1.0
  Br  Br11  1  0.884  0.211  0.085  1.0
[/CIF]
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The structure described by PrSBr is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded to four equivalent S(1) and three equivalent Br(1) atoms to form a mixture of distorted edge and corner-sharing PrS4Br3 pentagonal bipyramids. S(1) is bonded to four equivalent Pr(1) atoms to form a mixture of edge and corner-sharing SPr4 tetrahedra. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.148
_cell_length_b   7.020
_cell_length_c   7.085
_cell_angle_alpha   80.381
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.483
_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  0.965  0.790  0.318  1.0
  Pr  Pr1  1  0.035  0.210  0.682  1.0
  Pr  Pr2  1  0.465  0.710  0.682  1.0
  Pr  Pr3  1  0.535  0.290  0.318  1.0
  S  S4  1  0.741  0.992  0.552  1.0
  S  S5  1  0.259  0.008  0.448  1.0
  S  S6  1  0.241  0.508  0.448  1.0
  S  S7  1  0.759  0.492  0.552  1.0
  Br  Br8  1  0.616  0.711  0.085  1.0
  Br  Br9  1  0.384  0.289  0.915  1.0
  Br  Br10  1  0.116  0.789  0.915  1.0
  Br  Br11  1  0.884  0.211  0.085  1.0
[/CIF]
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