The compound described by CrAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-53°. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted AlO4 trigonal pyramids that share corners with eight equivalent Cr(1)O6 octahedra and corners with two equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-81°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2Cr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.020
_cell_length_b   5.052
_cell_length_c   7.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.020
_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
  Al  Al0  1  0.988  0.978  0.750  1.0
  Al  Al1  1  0.488  0.522  0.250  1.0
  Al  Al2  1  0.512  0.478  0.750  1.0
  Al  Al3  1  0.012  0.022  0.250  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.500  0.000  0.000  1.0
  Cr  Cr7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.660  0.337  0.421  1.0
  O  O9  1  0.160  0.163  0.579  1.0
  O  O10  1  0.840  0.837  0.079  1.0
  O  O11  1  0.340  0.663  0.921  1.0
  O  O12  1  0.340  0.663  0.579  1.0
  O  O13  1  0.840  0.837  0.421  1.0
  O  O14  1  0.160  0.163  0.921  1.0
  O  O15  1  0.660  0.337  0.079  1.0
  O  O16  1  0.141  0.378  0.250  1.0
  O  O17  1  0.641  0.122  0.750  1.0
  O  O18  1  0.359  0.878  0.250  1.0
  O  O19  1  0.859  0.622  0.750  1.0
[/CIF]
.
The compound described by CrAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-53°. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted AlO4 trigonal pyramids that share corners with eight equivalent Cr(1)O6 octahedra and corners with two equivalent Al(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-81°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one Al(1) atom. In the second O site, O(2) is bonded to two equivalent Cr(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2Cr2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.020
_cell_length_b   5.052
_cell_length_c   7.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.020
_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
  Al  Al0  1  0.988  0.978  0.750  1.0
  Al  Al1  1  0.488  0.522  0.250  1.0
  Al  Al2  1  0.512  0.478  0.750  1.0
  Al  Al3  1  0.012  0.022  0.250  1.0
  Cr  Cr4  1  0.000  0.500  0.500  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Cr  Cr6  1  0.500  0.000  0.000  1.0
  Cr  Cr7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.660  0.337  0.421  1.0
  O  O9  1  0.160  0.163  0.579  1.0
  O  O10  1  0.840  0.837  0.079  1.0
  O  O11  1  0.340  0.663  0.921  1.0
  O  O12  1  0.340  0.663  0.579  1.0
  O  O13  1  0.840  0.837  0.421  1.0
  O  O14  1  0.160  0.163  0.921  1.0
  O  O15  1  0.660  0.337  0.079  1.0
  O  O16  1  0.141  0.378  0.250  1.0
  O  O17  1  0.641  0.122  0.750  1.0
  O  O18  1  0.359  0.878  0.250  1.0
  O  O19  1  0.859  0.622  0.750  1.0
[/CIF]
.