The structure described by NdLaZr2O7 crystallizes in the orthorhombic Imma space group. Nd(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Zr site, Zr(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent La(1) atoms to form OLa2Nd2 tetrahedra that share corners with two equivalent O(3)La2Zr2 tetrahedra, corners with two equivalent O(2)Nd2Zr2 tetrahedra, corners with four equivalent O(1)La2Nd2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(3)La2Zr2 tetrahedra,  an edgeedge with one O(2)Nd2Zr2 tetrahedra, and edges with four equivalent O(4)LaNdZr2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Zr(2) atoms to form distorted ONd2Zr2 tetrahedra that share corners with two equivalent O(1)La2Nd2 tetrahedra, corners with four equivalent O(2)Nd2Zr2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra, and edges with four equivalent O(4)LaNdZr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Zr(1) atoms to form distorted OLa2Zr2 tetrahedra that share corners with two equivalent O(1)La2Nd2 tetrahedra, corners with four equivalent O(3)La2Zr2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra, and edges with four equivalent O(4)LaNdZr2 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(1), one La(1), one Zr(1), and one Zr(2) atom to form distorted OLaNdZr2 tetrahedra that share corners with two equivalent O(1)La2Nd2 tetrahedra, corners with two equivalent O(3)La2Zr2 tetrahedra, corners with two equivalent O(2)Nd2Zr2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra,  an edgeedge with one O(3)La2Zr2 tetrahedra,  an edgeedge with one O(2)Nd2Zr2 tetrahedra, and edges with two equivalent O(4)LaNdZr2 tetrahedra. is represented by the CIF file [CIF]
data_LaNdZr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   7.667
_cell_length_c   7.667
_cell_angle_alpha   120.017
_cell_angle_beta   119.986
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   318.639
_cell_formula_units_Z   2
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  0.000  1.0
  La  La1  1  0.000  0.500  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.500  0.000  0.000  1.0
  Zr  Zr4  1  0.000  0.000  0.500  1.0
  Zr  Zr5  1  0.000  0.500  0.000  1.0
  Zr  Zr6  1  0.000  0.000  0.000  1.0
  Zr  Zr7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.378  0.628  0.750  1.0
  O  O9  1  0.622  0.372  0.250  1.0
  O  O10  1  0.335  0.085  0.250  1.0
  O  O11  1  0.917  0.667  0.250  1.0
  O  O12  1  0.334  0.666  0.252  1.0
  O  O13  1  0.914  0.083  0.248  1.0
  O  O14  1  0.334  0.083  0.669  1.0
  O  O15  1  0.914  0.666  0.831  1.0
  O  O16  1  0.665  0.915  0.750  1.0
  O  O17  1  0.083  0.333  0.750  1.0
  O  O18  1  0.666  0.334  0.748  1.0
  O  O19  1  0.086  0.917  0.752  1.0
  O  O20  1  0.666  0.917  0.331  1.0
  O  O21  1  0.086  0.334  0.169  1.0
[/CIF]
.
The structure described by NdLaZr2O7 crystallizes in the orthorhombic Imma space group. Nd(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. La(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Zr site, Zr(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent La(1) atoms to form OLa2Nd2 tetrahedra that share corners with two equivalent O(3)La2Zr2 tetrahedra, corners with two equivalent O(2)Nd2Zr2 tetrahedra, corners with four equivalent O(1)La2Nd2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(3)La2Zr2 tetrahedra,  an edgeedge with one O(2)Nd2Zr2 tetrahedra, and edges with four equivalent O(4)LaNdZr2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Zr(2) atoms to form distorted ONd2Zr2 tetrahedra that share corners with two equivalent O(1)La2Nd2 tetrahedra, corners with four equivalent O(2)Nd2Zr2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra, and edges with four equivalent O(4)LaNdZr2 tetrahedra. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Zr(1) atoms to form distorted OLa2Zr2 tetrahedra that share corners with two equivalent O(1)La2Nd2 tetrahedra, corners with four equivalent O(3)La2Zr2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra, and edges with four equivalent O(4)LaNdZr2 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(1), one La(1), one Zr(1), and one Zr(2) atom to form distorted OLaNdZr2 tetrahedra that share corners with two equivalent O(1)La2Nd2 tetrahedra, corners with two equivalent O(3)La2Zr2 tetrahedra, corners with two equivalent O(2)Nd2Zr2 tetrahedra, corners with eight equivalent O(4)LaNdZr2 tetrahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra,  an edgeedge with one O(3)La2Zr2 tetrahedra,  an edgeedge with one O(2)Nd2Zr2 tetrahedra, and edges with two equivalent O(4)LaNdZr2 tetrahedra. is represented by the CIF file [CIF]
data_LaNdZr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.667
_cell_length_b   7.667
_cell_length_c   7.667
_cell_angle_alpha   120.017
_cell_angle_beta   119.986
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   318.639
_cell_formula_units_Z   2
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  0.000  1.0
  La  La1  1  0.000  0.500  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.500  1.0
  Nd  Nd3  1  0.500  0.000  0.000  1.0
  Zr  Zr4  1  0.000  0.000  0.500  1.0
  Zr  Zr5  1  0.000  0.500  0.000  1.0
  Zr  Zr6  1  0.000  0.000  0.000  1.0
  Zr  Zr7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.378  0.628  0.750  1.0
  O  O9  1  0.622  0.372  0.250  1.0
  O  O10  1  0.335  0.085  0.250  1.0
  O  O11  1  0.917  0.667  0.250  1.0
  O  O12  1  0.334  0.666  0.252  1.0
  O  O13  1  0.914  0.083  0.248  1.0
  O  O14  1  0.334  0.083  0.669  1.0
  O  O15  1  0.914  0.666  0.831  1.0
  O  O16  1  0.665  0.915  0.750  1.0
  O  O17  1  0.083  0.333  0.750  1.0
  O  O18  1  0.666  0.334  0.748  1.0
  O  O19  1  0.086  0.917  0.752  1.0
  O  O20  1  0.666  0.917  0.331  1.0
  O  O21  1  0.086  0.334  0.169  1.0
[/CIF]
.