The material described by La2O3MgO is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and five equivalent La(1) atoms to form distorted OLa5Mg octahedra that share corners with five equivalent O(2)La5Mg octahedra, corners with twelve equivalent O(1)La4Mg2 octahedra, edges with eight equivalent O(2)La5Mg octahedra, and faces with four equivalent O(1)La4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second O site, O(1) is bonded to two equivalent Mg(1) and four equivalent La(1) atoms to form distorted OLa4Mg2 octahedra that share corners with two equivalent O(1)La4Mg2 octahedra, corners with twelve equivalent O(2)La5Mg octahedra, edges with two equivalent O(1)La4Mg2 octahedra, faces with four equivalent O(1)La4Mg2 octahedra, and faces with four equivalent O(2)La5Mg octahedra. The corner-sharing octahedral tilt angles range from 0-50°. is represented by the CIF file [CIF]
data_La2MgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   146.689
_cell_angle_beta   146.689
_cell_angle_gamma   47.824
_symmetry_Int_Tables_number   1
_cell_volume   97.001
_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  0.637  0.637  0.000  1.0
  La  La1  1  0.363  0.363  0.000  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.821  0.821  0.000  1.0
  O  O6  1  0.179  0.179  0.000  1.0
[/CIF]
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The material described by La2O3MgO is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mg(1) and five equivalent La(1) atoms to form distorted OLa5Mg octahedra that share corners with five equivalent O(2)La5Mg octahedra, corners with twelve equivalent O(1)La4Mg2 octahedra, edges with eight equivalent O(2)La5Mg octahedra, and faces with four equivalent O(1)La4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the second O site, O(1) is bonded to two equivalent Mg(1) and four equivalent La(1) atoms to form distorted OLa4Mg2 octahedra that share corners with two equivalent O(1)La4Mg2 octahedra, corners with twelve equivalent O(2)La5Mg octahedra, edges with two equivalent O(1)La4Mg2 octahedra, faces with four equivalent O(1)La4Mg2 octahedra, and faces with four equivalent O(2)La5Mg octahedra. The corner-sharing octahedral tilt angles range from 0-50°. is represented by the CIF file [CIF]
data_La2MgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   146.689
_cell_angle_beta   146.689
_cell_angle_gamma   47.824
_symmetry_Int_Tables_number   1
_cell_volume   97.001
_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  0.637  0.637  0.000  1.0
  La  La1  1  0.363  0.363  0.000  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.821  0.821  0.000  1.0
  O  O6  1  0.179  0.179  0.000  1.0
[/CIF]
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