The material structure described by CeLaAl2O6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent O(1) and eight equivalent O(3) atoms to form CeO12 cuboctahedra that share corners with four equivalent Ce(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Ce(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. La(1) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Ce(1)O12 cuboctahedra, faces with two equivalent Ce(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, faces with four equivalent Ce(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ce(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ce(1), two equivalent La(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_LaCeAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   3.795
_cell_length_c   7.606
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.561
_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  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.000  0.000  0.751  1.0
  Al  Al3  1  0.000  0.000  0.249  1.0
  O  O4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.751  1.0
  O  O7  1  0.000  0.500  0.249  1.0
  O  O8  1  0.500  0.000  0.751  1.0
  O  O9  1  0.500  0.000  0.249  1.0
[/CIF]
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The material structure described by CeLaAl2O6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent O(1) and eight equivalent O(3) atoms to form CeO12 cuboctahedra that share corners with four equivalent Ce(1)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Ce(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. La(1) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Ce(1)O12 cuboctahedra, faces with two equivalent Ce(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra, faces with four equivalent Ce(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ce(1) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Ce(1), two equivalent La(1), and two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_LaCeAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.795
_cell_length_b   3.795
_cell_length_c   7.606
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.561
_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  0.500  0.500  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Al  Al2  1  0.000  0.000  0.751  1.0
  Al  Al3  1  0.000  0.000  0.249  1.0
  O  O4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.751  1.0
  O  O7  1  0.000  0.500  0.249  1.0
  O  O8  1  0.500  0.000  0.751  1.0
  O  O9  1  0.500  0.000  0.249  1.0
[/CIF]
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