The crystal structure described by NdLa3(CuO4)2 crystallizes in the tetragonal P4mm space group. Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second La site, La(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the third La site, La(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent La(2) atoms to form OLa2Nd2 tetrahedra that share corners with six equivalent O(3)La2Nd2Cu2 octahedra, corners with six equivalent O(4)La4Cu2 octahedra, corners with four equivalent O(1)La2Nd2 tetrahedra,  an edgeedge with one O(3)La2Nd2Cu2 octahedra,  an edgeedge with one O(4)La4Cu2 octahedra, and edges with four equivalent O(1)La2Nd2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-69°. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form OLa4 tetrahedra that share corners with six equivalent O(3)La2Nd2Cu2 octahedra, corners with six equivalent O(4)La4Cu2 octahedra, corners with four equivalent O(2)La4 tetrahedra,  an edgeedge with one O(3)La2Nd2Cu2 octahedra,  an edgeedge with one O(4)La4Cu2 octahedra, and edges with four equivalent O(2)La4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-68°. In the third O site, O(3) is bonded to two equivalent Nd(1), two equivalent La(3), and two equivalent Cu(1) atoms to form distorted OLa2Nd2Cu2 octahedra that share corners with two equivalent O(3)La2Nd2Cu2 octahedra, corners with six equivalent O(1)La2Nd2 tetrahedra, corners with six equivalent O(2)La4 tetrahedra, edges with two equivalent O(3)La2Nd2Cu2 octahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra,  an edgeedge with one O(2)La4 tetrahedra, and faces with four equivalent O(3)La2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(2) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(4)La4Cu2 octahedra, corners with six equivalent O(1)La2Nd2 tetrahedra, corners with six equivalent O(2)La4 tetrahedra, edges with two equivalent O(4)La4Cu2 octahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra,  an edgeedge with one O(2)La4 tetrahedra, and faces with four equivalent O(4)La4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Nd(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.976
_cell_length_b   3.976
_cell_length_c   12.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.925
_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  0.000  0.648  1.0
  La  La1  1  0.000  0.000  0.349  1.0
  La  La2  1  0.500  0.500  0.853  1.0
  Nd  Nd3  1  0.500  0.500  0.148  1.0
  Cu  Cu4  1  0.000  0.000  0.003  1.0
  Cu  Cu5  1  0.500  0.500  0.499  1.0
  O  O6  1  0.500  0.000  0.247  1.0
  O  O7  1  0.000  0.500  0.751  1.0
  O  O8  1  0.000  0.500  0.247  1.0
  O  O9  1  0.500  0.000  0.751  1.0
  O  O10  1  0.500  0.000  0.003  1.0
  O  O11  1  0.000  0.500  0.499  1.0
  O  O12  1  0.500  0.000  0.499  1.0
  O  O13  1  0.000  0.500  0.003  1.0
[/CIF]
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The crystal structure described by NdLa3(CuO4)2 crystallizes in the tetragonal P4mm space group. Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. In the second La site, La(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the third La site, La(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1) and two equivalent La(2) atoms to form OLa2Nd2 tetrahedra that share corners with six equivalent O(3)La2Nd2Cu2 octahedra, corners with six equivalent O(4)La4Cu2 octahedra, corners with four equivalent O(1)La2Nd2 tetrahedra,  an edgeedge with one O(3)La2Nd2Cu2 octahedra,  an edgeedge with one O(4)La4Cu2 octahedra, and edges with four equivalent O(1)La2Nd2 tetrahedra. The corner-sharing octahedral tilt angles range from 10-69°. In the second O site, O(2) is bonded to two equivalent La(1) and two equivalent La(3) atoms to form OLa4 tetrahedra that share corners with six equivalent O(3)La2Nd2Cu2 octahedra, corners with six equivalent O(4)La4Cu2 octahedra, corners with four equivalent O(2)La4 tetrahedra,  an edgeedge with one O(3)La2Nd2Cu2 octahedra,  an edgeedge with one O(4)La4Cu2 octahedra, and edges with four equivalent O(2)La4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-68°. In the third O site, O(3) is bonded to two equivalent Nd(1), two equivalent La(3), and two equivalent Cu(1) atoms to form distorted OLa2Nd2Cu2 octahedra that share corners with two equivalent O(3)La2Nd2Cu2 octahedra, corners with six equivalent O(1)La2Nd2 tetrahedra, corners with six equivalent O(2)La4 tetrahedra, edges with two equivalent O(3)La2Nd2Cu2 octahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra,  an edgeedge with one O(2)La4 tetrahedra, and faces with four equivalent O(3)La2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(2) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(4)La4Cu2 octahedra, corners with six equivalent O(1)La2Nd2 tetrahedra, corners with six equivalent O(2)La4 tetrahedra, edges with two equivalent O(4)La4Cu2 octahedra,  an edgeedge with one O(1)La2Nd2 tetrahedra,  an edgeedge with one O(2)La4 tetrahedra, and faces with four equivalent O(4)La4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Nd(CuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.976
_cell_length_b   3.976
_cell_length_c   12.520
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.925
_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  0.000  0.648  1.0
  La  La1  1  0.000  0.000  0.349  1.0
  La  La2  1  0.500  0.500  0.853  1.0
  Nd  Nd3  1  0.500  0.500  0.148  1.0
  Cu  Cu4  1  0.000  0.000  0.003  1.0
  Cu  Cu5  1  0.500  0.500  0.499  1.0
  O  O6  1  0.500  0.000  0.247  1.0
  O  O7  1  0.000  0.500  0.751  1.0
  O  O8  1  0.000  0.500  0.247  1.0
  O  O9  1  0.500  0.000  0.751  1.0
  O  O10  1  0.500  0.000  0.003  1.0
  O  O11  1  0.000  0.500  0.499  1.0
  O  O12  1  0.500  0.000  0.499  1.0
  O  O13  1  0.000  0.500  0.003  1.0
[/CIF]
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