LaNdCuO4 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner, face, and edge-sharing OLa2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Nd(1), two equivalent La(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), three equivalent La(1), and one Cu(2) atom.
LaNdCuO4 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(1) atoms. There is one shorter (2.48 Å) and one longer (3.08 Å) Nd(1)-O(3) bond length. There is one shorter (2.31 Å) and two longer (2.75 Å) Nd(1)-O(2) bond lengths. There are two shorter (2.55 Å) and two longer (2.63 Å) Nd(1)-O(1) bond lengths. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There is one shorter (2.53 Å) and one longer (3.03 Å) La(1)-O(2) bond length. There is one shorter (2.30 Å) and two longer (2.74 Å) La(1)-O(3) bond lengths. There are two shorter (2.61 Å) and two longer (2.70 Å) La(1)-O(1) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. Both Cu(1)-O(2) bond lengths are 2.43 Å. All Cu(1)-O(1) bond lengths are 1.90 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 7°. Both Cu(2)-O(3) bond lengths are 2.41 Å. All Cu(2)-O(1) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent La(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner, face, and edge-sharing OLa2Nd2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Nd(1), two equivalent La(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Nd(1), three equivalent La(1), and one Cu(2) atom.