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.
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. All Nd(1)-O(1) bond lengths are 2.34 Å. All Nd(1)-O(3) bond lengths are 2.69 Å. 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. All La(1)-O(2) bond lengths are 2.37 Å. All La(1)-O(4) bond lengths are 2.73 Å. 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. All La(2)-O(1) bond lengths are 2.36 Å. All La(2)-O(4) bond lengths are 2.74 Å. 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. All La(3)-O(2) bond lengths are 2.36 Å. All La(3)-O(3) bond lengths are 2.74 Å. 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. All Cu(1)-O(3) bond lengths are 1.99 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(4) atoms. All Cu(2)-O(4) bond lengths are 1.99 Å. 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.