SrNdAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Al(1) atom to form distorted OSrNd4Al octahedra that share  a cornercorner with one O(2)Sr4NdAl octahedra, corners with four equivalent O(1)SrNd4Al octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Al(1) atom to form distorted OSr4NdAl octahedra that share  a cornercorner with one O(1)SrNd4Al octahedra, corners with four equivalent O(2)Sr4NdAl octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Al(1) atoms to form distorted OSr2Nd2Al2 octahedra that share corners with two equivalent O(3)Sr2Nd2Al2 octahedra, corners with six equivalent O(2)Sr4NdAl octahedra, corners with six equivalent O(1)SrNd4Al octahedra, edges with two equivalent O(3)Sr2Nd2Al2 octahedra, faces with two equivalent O(2)Sr4NdAl octahedra, faces with two equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°.
SrNdAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.43 Å. All Sr(1)-O(2) bond lengths are 2.68 Å. All Sr(1)-O(3) bond lengths are 2.66 Å. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The Nd(1)-O(2) bond length is 2.42 Å. All Nd(1)-O(1) bond lengths are 2.68 Å. All Nd(1)-O(3) bond lengths are 2.52 Å. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. The Al(1)-O(1) bond length is 2.05 Å. The Al(1)-O(2) bond length is 2.02 Å. All Al(1)-O(3) bond lengths are 1.89 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Al(1) atom to form distorted OSrNd4Al octahedra that share  a cornercorner with one O(2)Sr4NdAl octahedra, corners with four equivalent O(1)SrNd4Al octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Al(1) atom to form distorted OSr4NdAl octahedra that share  a cornercorner with one O(1)SrNd4Al octahedra, corners with four equivalent O(2)Sr4NdAl octahedra, corners with twelve equivalent O(3)Sr2Nd2Al2 octahedra, edges with four equivalent O(2)Sr4NdAl octahedra, edges with four equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Al(1) atoms to form distorted OSr2Nd2Al2 octahedra that share corners with two equivalent O(3)Sr2Nd2Al2 octahedra, corners with six equivalent O(2)Sr4NdAl octahedra, corners with six equivalent O(1)SrNd4Al octahedra, edges with two equivalent O(3)Sr2Nd2Al2 octahedra, faces with two equivalent O(2)Sr4NdAl octahedra, faces with two equivalent O(1)SrNd4Al octahedra, and faces with four equivalent O(3)Sr2Nd2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°.