The material structure described by PrAlO3 crystallizes in the trigonal R-3c space group. Pr(1) is bonded to twelve equivalent O(1) atoms to form distorted PrO12 cuboctahedra that share corners with twelve equivalent Pr(1)O12 cuboctahedra, faces with six equivalent Pr(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra and faces with eight equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a 2-coordinate geometry to four equivalent Pr(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_PrAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.313
_cell_length_b   5.313
_cell_length_c   5.313
_cell_angle_alpha   60.433
_cell_angle_beta   60.433
_cell_angle_gamma   60.433
_symmetry_Int_Tables_number   1
_cell_volume   107.096
_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
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.293  0.750  0.207  1.0
  O  O5  1  0.750  0.207  0.293  1.0
  O  O6  1  0.207  0.293  0.750  1.0
  O  O7  1  0.707  0.250  0.793  1.0
  O  O8  1  0.793  0.707  0.250  1.0
  O  O9  1  0.250  0.793  0.707  1.0
[/CIF]
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The material structure described by PrAlO3 crystallizes in the trigonal R-3c space group. Pr(1) is bonded to twelve equivalent O(1) atoms to form distorted PrO12 cuboctahedra that share corners with twelve equivalent Pr(1)O12 cuboctahedra, faces with six equivalent Pr(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra and faces with eight equivalent Pr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. O(1) is bonded in a 2-coordinate geometry to four equivalent Pr(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_PrAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.313
_cell_length_b   5.313
_cell_length_c   5.313
_cell_angle_alpha   60.433
_cell_angle_beta   60.433
_cell_angle_gamma   60.433
_symmetry_Int_Tables_number   1
_cell_volume   107.096
_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
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.293  0.750  0.207  1.0
  O  O5  1  0.750  0.207  0.293  1.0
  O  O6  1  0.207  0.293  0.750  1.0
  O  O7  1  0.707  0.250  0.793  1.0
  O  O8  1  0.793  0.707  0.250  1.0
  O  O9  1  0.250  0.793  0.707  1.0
[/CIF]
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