The compound described by GaAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ga(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ga(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2Ga2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.889
_cell_length_b   5.010
_cell_length_c   7.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.422
_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  0.000  0.500  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Ga  Ga4  1  0.014  0.957  0.750  1.0
  Ga  Ga5  1  0.486  0.457  0.750  1.0
  Ga  Ga6  1  0.514  0.543  0.250  1.0
  Ga  Ga7  1  0.986  0.043  0.250  1.0
  O  O8  1  0.132  0.420  0.250  1.0
  O  O9  1  0.181  0.185  0.571  1.0
  O  O10  1  0.181  0.185  0.929  1.0
  O  O11  1  0.319  0.685  0.571  1.0
  O  O12  1  0.319  0.685  0.929  1.0
  O  O13  1  0.368  0.920  0.250  1.0
  O  O14  1  0.632  0.080  0.750  1.0
  O  O15  1  0.681  0.315  0.071  1.0
  O  O16  1  0.681  0.315  0.429  1.0
  O  O17  1  0.819  0.815  0.071  1.0
  O  O18  1  0.819  0.815  0.429  1.0
  O  O19  1  0.868  0.580  0.750  1.0
[/CIF]
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The compound described by GaAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ga(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Al(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ga(1) and two equivalent Al(1) atoms to form distorted corner-sharing OAl2Ga2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.889
_cell_length_b   5.010
_cell_length_c   7.448
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.422
_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  0.000  0.500  0.000  1.0
  Al  Al1  1  0.000  0.500  0.500  1.0
  Al  Al2  1  0.500  0.000  0.000  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Ga  Ga4  1  0.014  0.957  0.750  1.0
  Ga  Ga5  1  0.486  0.457  0.750  1.0
  Ga  Ga6  1  0.514  0.543  0.250  1.0
  Ga  Ga7  1  0.986  0.043  0.250  1.0
  O  O8  1  0.132  0.420  0.250  1.0
  O  O9  1  0.181  0.185  0.571  1.0
  O  O10  1  0.181  0.185  0.929  1.0
  O  O11  1  0.319  0.685  0.571  1.0
  O  O12  1  0.319  0.685  0.929  1.0
  O  O13  1  0.368  0.920  0.250  1.0
  O  O14  1  0.632  0.080  0.750  1.0
  O  O15  1  0.681  0.315  0.071  1.0
  O  O16  1  0.681  0.315  0.429  1.0
  O  O17  1  0.819  0.815  0.071  1.0
  O  O18  1  0.819  0.815  0.429  1.0
  O  O19  1  0.868  0.580  0.750  1.0
[/CIF]
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