The crystal structure described by PrAsS crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent S(1) atoms. As(1) is bonded in a 6-coordinate geometry to four equivalent Pr(1) and two equivalent As(1) atoms. S(1) is bonded to five equivalent Pr(1) atoms to form a mixture of distorted corner and edge-sharing SPr5 trigonal bipyramids. is represented by the CIF card [CIF]
data_PrAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   4.014
_cell_length_c   17.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.164
_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  0.250  0.229  0.854  1.0
  Pr  Pr1  1  0.250  0.271  0.354  1.0
  Pr  Pr2  1  0.750  0.771  0.146  1.0
  Pr  Pr3  1  0.750  0.729  0.646  1.0
  As  As4  1  0.750  0.202  0.502  1.0
  As  As5  1  0.750  0.298  0.002  1.0
  As  As6  1  0.250  0.798  0.498  1.0
  As  As7  1  0.250  0.702  0.998  1.0
  S  S8  1  0.250  0.232  0.687  1.0
  S  S9  1  0.250  0.268  0.187  1.0
  S  S10  1  0.750  0.768  0.313  1.0
  S  S11  1  0.750  0.732  0.813  1.0
[/CIF]
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The crystal structure described by PrAsS crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent S(1) atoms. As(1) is bonded in a 6-coordinate geometry to four equivalent Pr(1) and two equivalent As(1) atoms. S(1) is bonded to five equivalent Pr(1) atoms to form a mixture of distorted corner and edge-sharing SPr5 trigonal bipyramids. is represented by the CIF card [CIF]
data_PrAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   4.014
_cell_length_c   17.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   279.164
_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  0.250  0.229  0.854  1.0
  Pr  Pr1  1  0.250  0.271  0.354  1.0
  Pr  Pr2  1  0.750  0.771  0.146  1.0
  Pr  Pr3  1  0.750  0.729  0.646  1.0
  As  As4  1  0.750  0.202  0.502  1.0
  As  As5  1  0.750  0.298  0.002  1.0
  As  As6  1  0.250  0.798  0.498  1.0
  As  As7  1  0.250  0.702  0.998  1.0
  S  S8  1  0.250  0.232  0.687  1.0
  S  S9  1  0.250  0.268  0.187  1.0
  S  S10  1  0.750  0.768  0.313  1.0
  S  S11  1  0.750  0.732  0.813  1.0
[/CIF]
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