Nd2AlO3N is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one N(1), four equivalent O(1), and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to four equivalent N(1), one O(1), and four equivalent O(2) atoms. Al(1) is bonded to one N(1), one O(1), and four equivalent O(2) atoms to form corner-sharing AlNO5 octahedra. The corner-sharing octahedral tilt angles are 10°. N(1) is bonded to one Nd(1), four equivalent Nd(2), and one Al(1) atom to form distorted NNd5Al octahedra that share  a cornercorner with one O(1)Nd5Al octahedra, corners with four equivalent N(1)Nd5Al octahedra, corners with twelve equivalent O(2)Nd4Al2 octahedra, edges with four equivalent N(1)Nd5Al octahedra, edges with four equivalent O(1)Nd5Al octahedra, and faces with four equivalent O(2)Nd4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Nd(2), four equivalent Nd(1), and one Al(1) atom to form ONd5Al octahedra that share  a cornercorner with one N(1)Nd5Al octahedra, corners with four equivalent O(1)Nd5Al octahedra, corners with twelve equivalent O(2)Nd4Al2 octahedra, edges with four equivalent N(1)Nd5Al octahedra, edges with four equivalent O(1)Nd5Al octahedra, and faces with four equivalent O(2)Nd4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Al(1) atoms to form distorted ONd4Al2 octahedra that share corners with two equivalent O(2)Nd4Al2 octahedra, corners with six equivalent N(1)Nd5Al octahedra, corners with six equivalent O(1)Nd5Al octahedra, edges with two equivalent O(2)Nd4Al2 octahedra, faces with two equivalent N(1)Nd5Al octahedra, faces with two equivalent O(1)Nd5Al octahedra, and faces with four equivalent O(2)Nd4Al2 octahedra. The corner-sharing octahedral tilt angles range from 10-55°.
Nd2AlO3N is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one N(1), four equivalent O(1), and four equivalent O(2) atoms. The Nd(1)-N(1) bond length is 2.37 Å. All Nd(1)-O(1) bond lengths are 2.66 Å. All Nd(1)-O(2) bond lengths are 2.55 Å. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to four equivalent N(1), one O(1), and four equivalent O(2) atoms. All Nd(2)-N(1) bond lengths are 2.66 Å. The Nd(2)-O(1) bond length is 2.39 Å. All Nd(2)-O(2) bond lengths are 2.66 Å. Al(1) is bonded to one N(1), one O(1), and four equivalent O(2) atoms to form corner-sharing AlNO5 octahedra. The corner-sharing octahedral tilt angles are 10°. The Al(1)-N(1) bond length is 2.02 Å. The Al(1)-O(1) bond length is 2.17 Å. All Al(1)-O(2) bond lengths are 1.87 Å. N(1) is bonded to one Nd(1), four equivalent Nd(2), and one Al(1) atom to form distorted NNd5Al octahedra that share  a cornercorner with one O(1)Nd5Al octahedra, corners with four equivalent N(1)Nd5Al octahedra, corners with twelve equivalent O(2)Nd4Al2 octahedra, edges with four equivalent N(1)Nd5Al octahedra, edges with four equivalent O(1)Nd5Al octahedra, and faces with four equivalent O(2)Nd4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Nd(2), four equivalent Nd(1), and one Al(1) atom to form ONd5Al octahedra that share  a cornercorner with one N(1)Nd5Al octahedra, corners with four equivalent O(1)Nd5Al octahedra, corners with twelve equivalent O(2)Nd4Al2 octahedra, edges with four equivalent N(1)Nd5Al octahedra, edges with four equivalent O(1)Nd5Al octahedra, and faces with four equivalent O(2)Nd4Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Al(1) atoms to form distorted ONd4Al2 octahedra that share corners with two equivalent O(2)Nd4Al2 octahedra, corners with six equivalent N(1)Nd5Al octahedra, corners with six equivalent O(1)Nd5Al octahedra, edges with two equivalent O(2)Nd4Al2 octahedra, faces with two equivalent N(1)Nd5Al octahedra, faces with two equivalent O(1)Nd5Al octahedra, and faces with four equivalent O(2)Nd4Al2 octahedra. The corner-sharing octahedral tilt angles range from 10-55°.