The material described by La2O3 crystallizes in the trigonal P-3m1 space group. La(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) atoms to form OLa4 tetrahedra that share corners with six equivalent O(2)La6 octahedra, corners with six equivalent O(1)La4 tetrahedra, edges with three equivalent O(2)La6 octahedra, and edges with three equivalent O(1)La4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the second O site, O(2) is bonded to six equivalent La(1) atoms to form OLa6 octahedra that share corners with twelve equivalent O(1)La4 tetrahedra, edges with six equivalent O(2)La6 octahedra, and edges with six equivalent O(1)La4 tetrahedra. is represented by the CIF file [CIF]
data_La2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.931
_cell_length_b   3.931
_cell_length_c   6.112
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.784
_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  0.667  0.333  0.754  1.0
  La  La1  1  0.333  0.667  0.246  1.0
  O  O2  1  0.667  0.333  0.354  1.0
  O  O3  1  0.333  0.667  0.646  1.0
  O  O4  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by La2O3 crystallizes in the trigonal P-3m1 space group. La(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) atoms to form OLa4 tetrahedra that share corners with six equivalent O(2)La6 octahedra, corners with six equivalent O(1)La4 tetrahedra, edges with three equivalent O(2)La6 octahedra, and edges with three equivalent O(1)La4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the second O site, O(2) is bonded to six equivalent La(1) atoms to form OLa6 octahedra that share corners with twelve equivalent O(1)La4 tetrahedra, edges with six equivalent O(2)La6 octahedra, and edges with six equivalent O(1)La4 tetrahedra. is represented by the CIF file [CIF]
data_La2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.931
_cell_length_b   3.931
_cell_length_c   6.112
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   81.784
_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  0.667  0.333  0.754  1.0
  La  La1  1  0.333  0.667  0.246  1.0
  O  O2  1  0.667  0.333  0.354  1.0
  O  O3  1  0.333  0.667  0.646  1.0
  O  O4  1  0.000  0.000  0.000  1.0
[/CIF]
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