The crystal structure described by PrRhO3 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(2) and six equivalent O(1) atoms. Rh(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Pr(1) and two equivalent Rh(1) atoms to form distorted OPr3Rh2 square pyramids that share corners with nine equivalent O(1)Pr3Rh2 square pyramids, corners with four equivalent O(2)Pr2Rh2 trigonal pyramids, edges with six equivalent O(1)Pr3Rh2 square pyramids, and edges with three equivalent O(2)Pr2Rh2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Rh(1) atoms to form distorted OPr2Rh2 trigonal pyramids that share corners with eight equivalent O(1)Pr3Rh2 square pyramids, corners with four equivalent O(2)Pr2Rh2 trigonal pyramids, and edges with six equivalent O(1)Pr3Rh2 square pyramids. is represented by the CIF file [CIF]
data_PrRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.827
_cell_length_c   7.844
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.072
_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  0.478  0.573  0.750  1.0
  Pr  Pr1  1  0.978  0.927  0.250  1.0
  Pr  Pr2  1  0.022  0.073  0.750  1.0
  Pr  Pr3  1  0.522  0.427  0.250  1.0
  Rh  Rh4  1  0.500  0.000  0.500  1.0
  Rh  Rh5  1  0.000  0.500  0.500  1.0
  Rh  Rh6  1  0.000  0.500  0.000  1.0
  Rh  Rh7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.812  0.198  0.449  1.0
  O  O9  1  0.312  0.302  0.551  1.0
  O  O10  1  0.688  0.698  0.051  1.0
  O  O11  1  0.188  0.802  0.949  1.0
  O  O12  1  0.188  0.802  0.551  1.0
  O  O13  1  0.688  0.698  0.449  1.0
  O  O14  1  0.312  0.302  0.949  1.0
  O  O15  1  0.812  0.198  0.051  1.0
  O  O16  1  0.396  0.030  0.250  1.0
  O  O17  1  0.896  0.470  0.750  1.0
  O  O18  1  0.104  0.530  0.250  1.0
  O  O19  1  0.604  0.970  0.750  1.0
[/CIF]
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The crystal structure described by PrRhO3 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(2) and six equivalent O(1) atoms. Rh(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Pr(1) and two equivalent Rh(1) atoms to form distorted OPr3Rh2 square pyramids that share corners with nine equivalent O(1)Pr3Rh2 square pyramids, corners with four equivalent O(2)Pr2Rh2 trigonal pyramids, edges with six equivalent O(1)Pr3Rh2 square pyramids, and edges with three equivalent O(2)Pr2Rh2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Pr(1) and two equivalent Rh(1) atoms to form distorted OPr2Rh2 trigonal pyramids that share corners with eight equivalent O(1)Pr3Rh2 square pyramids, corners with four equivalent O(2)Pr2Rh2 trigonal pyramids, and edges with six equivalent O(1)Pr3Rh2 square pyramids. is represented by the CIF file [CIF]
data_PrRhO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.405
_cell_length_b   5.827
_cell_length_c   7.844
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.072
_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  0.478  0.573  0.750  1.0
  Pr  Pr1  1  0.978  0.927  0.250  1.0
  Pr  Pr2  1  0.022  0.073  0.750  1.0
  Pr  Pr3  1  0.522  0.427  0.250  1.0
  Rh  Rh4  1  0.500  0.000  0.500  1.0
  Rh  Rh5  1  0.000  0.500  0.500  1.0
  Rh  Rh6  1  0.000  0.500  0.000  1.0
  Rh  Rh7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.812  0.198  0.449  1.0
  O  O9  1  0.312  0.302  0.551  1.0
  O  O10  1  0.688  0.698  0.051  1.0
  O  O11  1  0.188  0.802  0.949  1.0
  O  O12  1  0.188  0.802  0.551  1.0
  O  O13  1  0.688  0.698  0.449  1.0
  O  O14  1  0.312  0.302  0.949  1.0
  O  O15  1  0.812  0.198  0.051  1.0
  O  O16  1  0.396  0.030  0.250  1.0
  O  O17  1  0.896  0.470  0.750  1.0
  O  O18  1  0.104  0.530  0.250  1.0
  O  O19  1  0.604  0.970  0.750  1.0
[/CIF]
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