LaNdCuO4 crystallizes in the tetragonal I4mm space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. La(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. There are two 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 twelve equivalent O(2)La2Nd2Cu2 octahedra, corners with four equivalent O(1)La2Nd2 tetrahedra, edges with two equivalent O(2)La2Nd2Cu2 octahedra, and edges with four equivalent O(1)La2Nd2 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OLa2Nd2Cu2 octahedra that share corners with two equivalent O(2)La2Nd2Cu2 octahedra, corners with twelve equivalent O(1)La2Nd2 tetrahedra, edges with two equivalent O(2)La2Nd2Cu2 octahedra, edges with two equivalent O(1)La2Nd2 tetrahedra, and faces with four equivalent O(2)La2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted.
LaNdCuO4 crystallizes in the tetragonal I4mm space group. Nd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Nd(1)-O(1) bond lengths are 2.34 Å. All Nd(1)-O(2) bond lengths are 2.72 Å. La(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All La(1)-O(1) bond lengths are 2.37 Å. All La(1)-O(2) bond lengths are 2.76 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. All Cu(1)-O(2) bond lengths are 2.00 Å. There are two 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 twelve equivalent O(2)La2Nd2Cu2 octahedra, corners with four equivalent O(1)La2Nd2 tetrahedra, edges with two equivalent O(2)La2Nd2Cu2 octahedra, and edges with four equivalent O(1)La2Nd2 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OLa2Nd2Cu2 octahedra that share corners with two equivalent O(2)La2Nd2Cu2 octahedra, corners with twelve equivalent O(1)La2Nd2 tetrahedra, edges with two equivalent O(2)La2Nd2Cu2 octahedra, edges with two equivalent O(1)La2Nd2 tetrahedra, and faces with four equivalent O(2)La2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted.