The crystal structure described by LaGaO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Ga(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.546
_cell_length_b   5.561
_cell_length_c   5.561
_cell_angle_alpha   60.399
_cell_angle_beta   60.086
_cell_angle_gamma   60.086
_symmetry_Int_Tables_number   1
_cell_volume   121.790
_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
  Ga  Ga0  1  0.500  1.000  1.000  1.0
  Ga  Ga1  1  1.000  0.500  0.500  1.0
  La  La2  1  0.750  0.258  0.242  1.0
  La  La3  1  0.250  0.742  0.758  1.0
  O  O4  1  0.206  0.294  0.794  1.0
  O  O5  1  0.250  0.169  0.331  1.0
  O  O6  1  0.794  0.706  0.206  1.0
  O  O7  1  0.750  0.831  0.669  1.0
  O  O8  1  0.294  0.706  0.206  1.0
  O  O9  1  0.706  0.294  0.794  1.0
[/CIF]
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The crystal structure described by LaGaO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Ga(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.546
_cell_length_b   5.561
_cell_length_c   5.561
_cell_angle_alpha   60.399
_cell_angle_beta   60.086
_cell_angle_gamma   60.086
_symmetry_Int_Tables_number   1
_cell_volume   121.790
_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
  Ga  Ga0  1  0.500  1.000  1.000  1.0
  Ga  Ga1  1  1.000  0.500  0.500  1.0
  La  La2  1  0.750  0.258  0.242  1.0
  La  La3  1  0.250  0.742  0.758  1.0
  O  O4  1  0.206  0.294  0.794  1.0
  O  O5  1  0.250  0.169  0.331  1.0
  O  O6  1  0.794  0.706  0.206  1.0
  O  O7  1  0.750  0.831  0.669  1.0
  O  O8  1  0.294  0.706  0.206  1.0
  O  O9  1  0.706  0.294  0.794  1.0
[/CIF]
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