The material structure described by LaAuO3 crystallizes in the orthorhombic Pbcm space group. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent La(1) and two equivalent Au(1) atoms. In the second O site, O(2) is bonded to three equivalent La(1) and one Au(1) atom to form a mixture of edge and corner-sharing OLa3Au tetrahedra. is represented by the CIF card [CIF]
data_LaAuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.039
_cell_length_b   5.708
_cell_length_c   13.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.058
_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
  La  La0  1  0.264  0.750  0.918  1.0
  La  La1  1  0.264  0.250  0.582  1.0
  La  La2  1  0.736  0.250  0.082  1.0
  La  La3  1  0.736  0.750  0.418  1.0
  Au  Au4  1  0.072  0.750  0.170  1.0
  Au  Au5  1  0.072  0.250  0.330  1.0
  Au  Au6  1  0.928  0.250  0.830  1.0
  Au  Au7  1  0.928  0.750  0.670  1.0
  O  O8  1  0.171  0.500  0.750  1.0
  O  O9  1  0.829  0.000  0.250  1.0
  O  O10  1  0.829  0.500  0.250  1.0
  O  O11  1  0.171  0.000  0.750  1.0
  O  O12  1  0.743  0.495  0.921  1.0
  O  O13  1  0.743  0.505  0.579  1.0
  O  O14  1  0.257  0.995  0.079  1.0
  O  O15  1  0.257  0.005  0.421  1.0
  O  O16  1  0.743  0.995  0.579  1.0
  O  O17  1  0.743  0.005  0.921  1.0
  O  O18  1  0.257  0.495  0.421  1.0
  O  O19  1  0.257  0.505  0.079  1.0
[/CIF]
.
The material structure described by LaAuO3 crystallizes in the orthorhombic Pbcm space group. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Au(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent La(1) and two equivalent Au(1) atoms. In the second O site, O(2) is bonded to three equivalent La(1) and one Au(1) atom to form a mixture of edge and corner-sharing OLa3Au tetrahedra. is represented by the CIF card [CIF]
data_LaAuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.039
_cell_length_b   5.708
_cell_length_c   13.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.058
_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
  La  La0  1  0.264  0.750  0.918  1.0
  La  La1  1  0.264  0.250  0.582  1.0
  La  La2  1  0.736  0.250  0.082  1.0
  La  La3  1  0.736  0.750  0.418  1.0
  Au  Au4  1  0.072  0.750  0.170  1.0
  Au  Au5  1  0.072  0.250  0.330  1.0
  Au  Au6  1  0.928  0.250  0.830  1.0
  Au  Au7  1  0.928  0.750  0.670  1.0
  O  O8  1  0.171  0.500  0.750  1.0
  O  O9  1  0.829  0.000  0.250  1.0
  O  O10  1  0.829  0.500  0.250  1.0
  O  O11  1  0.171  0.000  0.750  1.0
  O  O12  1  0.743  0.495  0.921  1.0
  O  O13  1  0.743  0.505  0.579  1.0
  O  O14  1  0.257  0.995  0.079  1.0
  O  O15  1  0.257  0.005  0.421  1.0
  O  O16  1  0.743  0.995  0.579  1.0
  O  O17  1  0.743  0.005  0.921  1.0
  O  O18  1  0.257  0.495  0.421  1.0
  O  O19  1  0.257  0.505  0.079  1.0
[/CIF]
.