The compound described by LaAlO3 crystallizes in the orthorhombic Cmmm space group. La(1) is bonded in a distorted hexagonal planar geometry to two equivalent Al(1), two equivalent O(1), and four equivalent O(2) atoms. Al(1) is bonded in a linear geometry to two equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent La(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.731
_cell_length_b   6.398
_cell_length_c   4.762
_cell_angle_alpha   89.326
_cell_angle_beta   119.789
_cell_angle_gamma   91.356
_symmetry_Int_Tables_number   1
_cell_volume   125.072
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.000  1.0
  O  O2  1  0.500  0.000  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by LaAlO3 crystallizes in the orthorhombic Cmmm space group. La(1) is bonded in a distorted hexagonal planar geometry to two equivalent Al(1), two equivalent O(1), and four equivalent O(2) atoms. Al(1) is bonded in a linear geometry to two equivalent La(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent La(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.731
_cell_length_b   6.398
_cell_length_c   4.762
_cell_angle_alpha   89.326
_cell_angle_beta   119.789
_cell_angle_gamma   91.356
_symmetry_Int_Tables_number   1
_cell_volume   125.072
_cell_formula_units_Z   1
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
  La  La0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.000  0.500  0.000  1.0
  O  O2  1  0.500  0.000  0.000  1.0
  O  O3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
[/CIF]
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