The structure described by NdLa3Zr4O14 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to six equivalent O(3) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Zr site, Zr(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1) and three equivalent La(1) atoms to form OLa3Nd tetrahedra that share corners with four equivalent O(1)La3Nd tetrahedra, corners with six equivalent O(3)La2Zr2 tetrahedra, corners with six equivalent O(2)LaNdZr2 tetrahedra, edges with three equivalent O(3)La2Zr2 tetrahedra, and edges with three equivalent O(2)LaNdZr2 tetrahedra. In the second O site, O(2) is bonded to one Nd(1), one La(1), and two equivalent Zr(2) atoms to form distorted OLaNdZr2 tetrahedra that share corners with two equivalent O(1)La3Nd tetrahedra, corners with four equivalent O(3)La2Zr2 tetrahedra, corners with eight equivalent O(2)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La3Nd tetrahedra, edges with two equivalent O(3)La2Zr2 tetrahedra, and edges with two equivalent O(2)LaNdZr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent La(1), one Zr(1), and one Zr(2) atom to form distorted OLa2Zr2 tetrahedra that share corners with two equivalent O(1)La3Nd tetrahedra, corners with four equivalent O(2)LaNdZr2 tetrahedra, corners with eight equivalent O(3)La2Zr2 tetrahedra,  an edgeedge with one O(1)La3Nd tetrahedra, edges with two equivalent O(3)La2Zr2 tetrahedra, and edges with two equivalent O(2)LaNdZr2 tetrahedra. is represented by the CIF card [CIF]
data_La3NdZr4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.687
_cell_length_b   7.687
_cell_length_c   7.687
_cell_angle_alpha   59.966
_cell_angle_beta   59.966
_cell_angle_gamma   59.966
_symmetry_Int_Tables_number   1
_cell_volume   320.985
_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  0.000  0.500  0.500  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  La  La2  1  0.500  0.000  0.500  1.0
  Nd  Nd3  1  0.500  0.500  0.500  1.0
  Zr  Zr4  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  0.376  0.376  0.376  1.0
  O  O9  1  0.624  0.624  0.624  1.0
  O  O10  1  0.915  0.334  0.334  1.0
  O  O11  1  0.333  0.917  0.917  1.0
  O  O12  1  0.334  0.334  0.915  1.0
  O  O13  1  0.917  0.917  0.333  1.0
  O  O14  1  0.917  0.333  0.917  1.0
  O  O15  1  0.334  0.915  0.334  1.0
  O  O16  1  0.085  0.666  0.666  1.0
  O  O17  1  0.667  0.083  0.083  1.0
  O  O18  1  0.666  0.666  0.085  1.0
  O  O19  1  0.083  0.083  0.667  1.0
  O  O20  1  0.083  0.667  0.083  1.0
  O  O21  1  0.666  0.085  0.666  1.0
[/CIF]
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The structure described by NdLa3Zr4O14 crystallizes in the trigonal R-3m space group. Nd(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. La(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to six equivalent O(3) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Zr site, Zr(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1) and three equivalent La(1) atoms to form OLa3Nd tetrahedra that share corners with four equivalent O(1)La3Nd tetrahedra, corners with six equivalent O(3)La2Zr2 tetrahedra, corners with six equivalent O(2)LaNdZr2 tetrahedra, edges with three equivalent O(3)La2Zr2 tetrahedra, and edges with three equivalent O(2)LaNdZr2 tetrahedra. In the second O site, O(2) is bonded to one Nd(1), one La(1), and two equivalent Zr(2) atoms to form distorted OLaNdZr2 tetrahedra that share corners with two equivalent O(1)La3Nd tetrahedra, corners with four equivalent O(3)La2Zr2 tetrahedra, corners with eight equivalent O(2)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La3Nd tetrahedra, edges with two equivalent O(3)La2Zr2 tetrahedra, and edges with two equivalent O(2)LaNdZr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent La(1), one Zr(1), and one Zr(2) atom to form distorted OLa2Zr2 tetrahedra that share corners with two equivalent O(1)La3Nd tetrahedra, corners with four equivalent O(2)LaNdZr2 tetrahedra, corners with eight equivalent O(3)La2Zr2 tetrahedra,  an edgeedge with one O(1)La3Nd tetrahedra, edges with two equivalent O(3)La2Zr2 tetrahedra, and edges with two equivalent O(2)LaNdZr2 tetrahedra. is represented by the CIF card [CIF]
data_La3NdZr4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.687
_cell_length_b   7.687
_cell_length_c   7.687
_cell_angle_alpha   59.966
_cell_angle_beta   59.966
_cell_angle_gamma   59.966
_symmetry_Int_Tables_number   1
_cell_volume   320.985
_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  0.000  0.500  0.500  1.0
  La  La1  1  0.500  0.500  0.000  1.0
  La  La2  1  0.500  0.000  0.500  1.0
  Nd  Nd3  1  0.500  0.500  0.500  1.0
  Zr  Zr4  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  0.376  0.376  0.376  1.0
  O  O9  1  0.624  0.624  0.624  1.0
  O  O10  1  0.915  0.334  0.334  1.0
  O  O11  1  0.333  0.917  0.917  1.0
  O  O12  1  0.334  0.334  0.915  1.0
  O  O13  1  0.917  0.917  0.333  1.0
  O  O14  1  0.917  0.333  0.917  1.0
  O  O15  1  0.334  0.915  0.334  1.0
  O  O16  1  0.085  0.666  0.666  1.0
  O  O17  1  0.667  0.083  0.083  1.0
  O  O18  1  0.666  0.666  0.085  1.0
  O  O19  1  0.083  0.083  0.667  1.0
  O  O20  1  0.083  0.667  0.083  1.0
  O  O21  1  0.666  0.085  0.666  1.0
[/CIF]
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