The material described by CeLaAl2O6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Imm2 space group. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form CeO12 cuboctahedra that share corners with twelve equivalent Ce(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. La(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent Ce(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 octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ce(1), two equivalent La(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ce(1), two 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 card [CIF]
data_LaCeAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   5.375
_cell_length_c   5.375
_cell_angle_alpha   90.164
_cell_angle_beta   120.128
_cell_angle_gamma   59.872
_symmetry_Int_Tables_number   1
_cell_volume   109.943
_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  0.250  0.250  1.0
  Ce  Ce1  1  0.504  0.750  0.750  1.0
  Al  Al2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.003  0.750  0.750  1.0
  O  O5  1  0.996  0.250  0.250  1.0
  O  O6  1  0.999  0.748  0.247  1.0
  O  O7  1  0.500  0.752  0.253  1.0
  O  O8  1  0.500  0.247  0.748  1.0
  O  O9  1  0.999  0.253  0.752  1.0
[/CIF]
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The material described by CeLaAl2O6 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Imm2 space group. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form CeO12 cuboctahedra that share corners with twelve equivalent Ce(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. La(1) is bonded to two equivalent O(1), two equivalent O(2), and eight equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent Ce(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 octahedral tilt angles are 1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ce(1), two equivalent La(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ce(1), two 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 card [CIF]
data_LaCeAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   5.375
_cell_length_c   5.375
_cell_angle_alpha   90.164
_cell_angle_beta   120.128
_cell_angle_gamma   59.872
_symmetry_Int_Tables_number   1
_cell_volume   109.943
_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  0.250  0.250  1.0
  Ce  Ce1  1  0.504  0.750  0.750  1.0
  Al  Al2  1  0.000  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.003  0.750  0.750  1.0
  O  O5  1  0.996  0.250  0.250  1.0
  O  O6  1  0.999  0.748  0.247  1.0
  O  O7  1  0.500  0.752  0.253  1.0
  O  O8  1  0.500  0.247  0.748  1.0
  O  O9  1  0.999  0.253  0.752  1.0
[/CIF]
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