The material described by PrCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.522
_cell_length_c   7.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.032
_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  0.509  0.542  0.250  1.0
  Pr  Pr1  1  0.991  0.042  0.250  1.0
  Pr  Pr2  1  0.491  0.458  0.750  1.0
  Pr  Pr3  1  0.009  0.958  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.422  0.984  0.250  1.0
  O  O9  1  0.078  0.484  0.250  1.0
  O  O10  1  0.578  0.016  0.750  1.0
  O  O11  1  0.922  0.516  0.750  1.0
  O  O12  1  0.788  0.787  0.041  1.0
  O  O13  1  0.712  0.287  0.459  1.0
  O  O14  1  0.212  0.213  0.541  1.0
  O  O15  1  0.288  0.713  0.959  1.0
  O  O16  1  0.212  0.213  0.959  1.0
  O  O17  1  0.288  0.713  0.541  1.0
  O  O18  1  0.788  0.787  0.459  1.0
  O  O19  1  0.712  0.287  0.041  1.0
[/CIF]
.
The material described by PrCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Cr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PrCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.522
_cell_length_c   7.752
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.032
_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  0.509  0.542  0.250  1.0
  Pr  Pr1  1  0.991  0.042  0.250  1.0
  Pr  Pr2  1  0.491  0.458  0.750  1.0
  Pr  Pr3  1  0.009  0.958  0.750  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.000  0.500  0.500  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.422  0.984  0.250  1.0
  O  O9  1  0.078  0.484  0.250  1.0
  O  O10  1  0.578  0.016  0.750  1.0
  O  O11  1  0.922  0.516  0.750  1.0
  O  O12  1  0.788  0.787  0.041  1.0
  O  O13  1  0.712  0.287  0.459  1.0
  O  O14  1  0.212  0.213  0.541  1.0
  O  O15  1  0.288  0.713  0.959  1.0
  O  O16  1  0.212  0.213  0.959  1.0
  O  O17  1  0.288  0.713  0.541  1.0
  O  O18  1  0.788  0.787  0.459  1.0
  O  O19  1  0.712  0.287  0.041  1.0
[/CIF]
.