The material structure described by CeLa4Zr3O14 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(3) and six equivalent O(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second La site, La(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Ce(1) and three equivalent Zr(1) atoms to form OCeZr3 tetrahedra that share corners with four equivalent O(3)CeZr3 tetrahedra, corners with six equivalent O(2)La2CeZr tetrahedra, corners with six equivalent O(1)La2Zr2 tetrahedra, edges with three equivalent O(2)La2CeZr tetrahedra, and edges with three equivalent O(1)La2Zr2 tetrahedra. In the second O site, O(1) is bonded to one La(1), one La(2), and two equivalent Zr(1) atoms to form OLa2Zr2 tetrahedra that share corners with two equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(2)La2CeZr tetrahedra, corners with eight equivalent O(1)La2Zr2 tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, edges with two equivalent O(2)La2CeZr tetrahedra, and edges with two equivalent O(1)La2Zr2 tetrahedra. In the third O site, O(2) is bonded to one Ce(1), two equivalent La(2), and one Zr(1) atom to form OLa2CeZr tetrahedra that share corners with two equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(1)La2Zr2 tetrahedra, corners with eight equivalent O(2)La2CeZr tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, edges with two equivalent O(2)La2CeZr tetrahedra, and edges with two equivalent O(1)La2Zr2 tetrahedra. is represented by the CIF card [CIF]
data_La4CeZr3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   7.616
_cell_length_c   7.616
_cell_angle_alpha   60.809
_cell_angle_beta   60.809
_cell_angle_gamma   60.809
_symmetry_Int_Tables_number   1
_cell_volume   318.127
_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
  La  La1  1  0.000  0.500  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  La  La3  1  0.500  0.000  0.500  1.0
  Ce  Ce4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.500  0.000  0.000  1.0
  Zr  Zr6  1  0.000  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.880  0.368  0.368  1.0
  O  O9  1  0.378  0.879  0.879  1.0
  O  O10  1  0.368  0.368  0.880  1.0
  O  O11  1  0.879  0.879  0.378  1.0
  O  O12  1  0.879  0.378  0.879  1.0
  O  O13  1  0.368  0.880  0.368  1.0
  O  O14  1  0.120  0.632  0.632  1.0
  O  O15  1  0.622  0.121  0.121  1.0
  O  O16  1  0.632  0.632  0.120  1.0
  O  O17  1  0.121  0.121  0.622  1.0
  O  O18  1  0.121  0.622  0.121  1.0
  O  O19  1  0.632  0.120  0.632  1.0
  O  O20  1  0.129  0.129  0.129  1.0
  O  O21  1  0.871  0.871  0.871  1.0
[/CIF]
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The material structure described by CeLa4Zr3O14 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(3) and six equivalent O(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. In the second La site, La(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Ce(1) and three equivalent Zr(1) atoms to form OCeZr3 tetrahedra that share corners with four equivalent O(3)CeZr3 tetrahedra, corners with six equivalent O(2)La2CeZr tetrahedra, corners with six equivalent O(1)La2Zr2 tetrahedra, edges with three equivalent O(2)La2CeZr tetrahedra, and edges with three equivalent O(1)La2Zr2 tetrahedra. In the second O site, O(1) is bonded to one La(1), one La(2), and two equivalent Zr(1) atoms to form OLa2Zr2 tetrahedra that share corners with two equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(2)La2CeZr tetrahedra, corners with eight equivalent O(1)La2Zr2 tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, edges with two equivalent O(2)La2CeZr tetrahedra, and edges with two equivalent O(1)La2Zr2 tetrahedra. In the third O site, O(2) is bonded to one Ce(1), two equivalent La(2), and one Zr(1) atom to form OLa2CeZr tetrahedra that share corners with two equivalent O(3)CeZr3 tetrahedra, corners with four equivalent O(1)La2Zr2 tetrahedra, corners with eight equivalent O(2)La2CeZr tetrahedra,  an edgeedge with one O(3)CeZr3 tetrahedra, edges with two equivalent O(2)La2CeZr tetrahedra, and edges with two equivalent O(1)La2Zr2 tetrahedra. is represented by the CIF card [CIF]
data_La4CeZr3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   7.616
_cell_length_c   7.616
_cell_angle_alpha   60.809
_cell_angle_beta   60.809
_cell_angle_gamma   60.809
_symmetry_Int_Tables_number   1
_cell_volume   318.127
_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
  La  La1  1  0.000  0.500  0.500  1.0
  La  La2  1  0.500  0.500  0.000  1.0
  La  La3  1  0.500  0.000  0.500  1.0
  Ce  Ce4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.500  0.000  0.000  1.0
  Zr  Zr6  1  0.000  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.880  0.368  0.368  1.0
  O  O9  1  0.378  0.879  0.879  1.0
  O  O10  1  0.368  0.368  0.880  1.0
  O  O11  1  0.879  0.879  0.378  1.0
  O  O12  1  0.879  0.378  0.879  1.0
  O  O13  1  0.368  0.880  0.368  1.0
  O  O14  1  0.120  0.632  0.632  1.0
  O  O15  1  0.622  0.121  0.121  1.0
  O  O16  1  0.632  0.632  0.120  1.0
  O  O17  1  0.121  0.121  0.622  1.0
  O  O18  1  0.121  0.622  0.121  1.0
  O  O19  1  0.632  0.120  0.632  1.0
  O  O20  1  0.129  0.129  0.129  1.0
  O  O21  1  0.871  0.871  0.871  1.0
[/CIF]
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