The compound described by PrCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Pr(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_PrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.349
_cell_length_c   7.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.468
_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  0.005  0.973  0.750  1.0
  Pr  Pr1  1  0.495  0.473  0.750  1.0
  Pr  Pr2  1  0.505  0.527  0.250  1.0
  Pr  Pr3  1  0.995  0.027  0.250  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  Co  Co7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.723  0.276  0.464  1.0
  O  O9  1  0.777  0.776  0.036  1.0
  O  O10  1  0.223  0.224  0.536  1.0
  O  O11  1  0.277  0.724  0.964  1.0
  O  O12  1  0.277  0.724  0.536  1.0
  O  O13  1  0.223  0.224  0.964  1.0
  O  O14  1  0.777  0.776  0.464  1.0
  O  O15  1  0.723  0.276  0.036  1.0
  O  O16  1  0.066  0.492  0.250  1.0
  O  O17  1  0.434  0.992  0.250  1.0
  O  O18  1  0.566  0.008  0.750  1.0
  O  O19  1  0.934  0.508  0.750  1.0
[/CIF]
.
The compound described by PrCoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Pr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Pr(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_PrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.349
_cell_length_c   7.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.468
_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  0.005  0.973  0.750  1.0
  Pr  Pr1  1  0.495  0.473  0.750  1.0
  Pr  Pr2  1  0.505  0.527  0.250  1.0
  Pr  Pr3  1  0.995  0.027  0.250  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  Co  Co7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.723  0.276  0.464  1.0
  O  O9  1  0.777  0.776  0.036  1.0
  O  O10  1  0.223  0.224  0.536  1.0
  O  O11  1  0.277  0.724  0.964  1.0
  O  O12  1  0.277  0.724  0.536  1.0
  O  O13  1  0.223  0.224  0.964  1.0
  O  O14  1  0.777  0.776  0.464  1.0
  O  O15  1  0.723  0.276  0.036  1.0
  O  O16  1  0.066  0.492  0.250  1.0
  O  O17  1  0.434  0.992  0.250  1.0
  O  O18  1  0.566  0.008  0.750  1.0
  O  O19  1  0.934  0.508  0.750  1.0
[/CIF]
.