The material described by PrNiO3 crystallizes in the trigonal R-3c space group. Pr(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ni(1) is bonded to six equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 19°. O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_PrNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.325
_cell_length_c   5.325
_cell_angle_alpha   61.617
_cell_angle_beta   61.617
_cell_angle_gamma   61.624
_symmetry_Int_Tables_number   1
_cell_volume   110.652
_cell_formula_units_Z   2
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  0.750  0.750  0.750  1.0
  Pr  Pr1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.190  0.750  0.310  1.0
  O  O5  1  0.750  0.310  0.190  1.0
  O  O6  1  0.310  0.190  0.750  1.0
  O  O7  1  0.810  0.250  0.690  1.0
  O  O8  1  0.690  0.810  0.250  1.0
  O  O9  1  0.250  0.690  0.810  1.0
[/CIF]
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The material described by PrNiO3 crystallizes in the trigonal R-3c space group. Pr(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ni(1) is bonded to six equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 19°. O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_PrNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.325
_cell_length_b   5.325
_cell_length_c   5.325
_cell_angle_alpha   61.617
_cell_angle_beta   61.617
_cell_angle_gamma   61.624
_symmetry_Int_Tables_number   1
_cell_volume   110.652
_cell_formula_units_Z   2
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  0.750  0.750  0.750  1.0
  Pr  Pr1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.190  0.750  0.310  1.0
  O  O5  1  0.750  0.310  0.190  1.0
  O  O6  1  0.310  0.190  0.750  1.0
  O  O7  1  0.810  0.250  0.690  1.0
  O  O8  1  0.690  0.810  0.250  1.0
  O  O9  1  0.250  0.690  0.810  1.0
[/CIF]
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