SrCeAlO4 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(2), four equivalent O(1), and four equivalent O(3) atoms. Ce(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Al(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ce(1), and two equivalent Al(1) atoms to form distorted OSr2Ce2Al2 octahedra that share corners with two equivalent O(1)Sr2Ce2Al2 octahedra, corners with six equivalent O(3)Sr4CeAl octahedra, corners with six equivalent O(2)SrCe4Al octahedra, edges with two equivalent O(1)Sr2Ce2Al2 octahedra, faces with two equivalent O(3)Sr4CeAl octahedra, faces with two equivalent O(2)SrCe4Al octahedra, and faces with four equivalent O(1)Sr2Ce2Al2 octahedra. The corner-sharing octahedral tilt angles range from 6-55°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Ce(1), and one Al(1) atom to form distorted OSrCe4Al octahedra that share  a cornercorner with one O(3)Sr4CeAl octahedra, corners with four equivalent O(2)SrCe4Al octahedra, corners with twelve equivalent O(1)Sr2Ce2Al2 octahedra, edges with four equivalent O(3)Sr4CeAl octahedra, edges with four equivalent O(2)SrCe4Al octahedra, and faces with four equivalent O(1)Sr2Ce2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Ce(1), and one Al(1) atom to form distorted OSr4CeAl octahedra that share  a cornercorner with one O(2)SrCe4Al octahedra, corners with four equivalent O(3)Sr4CeAl octahedra, corners with twelve equivalent O(1)Sr2Ce2Al2 octahedra, edges with four equivalent O(3)Sr4CeAl octahedra, edges with four equivalent O(2)SrCe4Al octahedra, and faces with four equivalent O(1)Sr2Ce2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°.
SrCeAlO4 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(2), four equivalent O(1), and four equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.45 Å. All Sr(1)-O(1) bond lengths are 2.64 Å. All Sr(1)-O(3) bond lengths are 2.68 Å. Ce(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. The Ce(1)-O(3) bond length is 2.38 Å. All Ce(1)-O(1) bond lengths are 2.56 Å. All Ce(1)-O(2) bond lengths are 2.67 Å. Al(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 6°. The Al(1)-O(2) bond length is 2.05 Å. The Al(1)-O(3) bond length is 2.04 Å. All Al(1)-O(1) bond lengths are 1.88 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ce(1), and two equivalent Al(1) atoms to form distorted OSr2Ce2Al2 octahedra that share corners with two equivalent O(1)Sr2Ce2Al2 octahedra, corners with six equivalent O(3)Sr4CeAl octahedra, corners with six equivalent O(2)SrCe4Al octahedra, edges with two equivalent O(1)Sr2Ce2Al2 octahedra, faces with two equivalent O(3)Sr4CeAl octahedra, faces with two equivalent O(2)SrCe4Al octahedra, and faces with four equivalent O(1)Sr2Ce2Al2 octahedra. The corner-sharing octahedral tilt angles range from 6-55°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Ce(1), and one Al(1) atom to form distorted OSrCe4Al octahedra that share  a cornercorner with one O(3)Sr4CeAl octahedra, corners with four equivalent O(2)SrCe4Al octahedra, corners with twelve equivalent O(1)Sr2Ce2Al2 octahedra, edges with four equivalent O(3)Sr4CeAl octahedra, edges with four equivalent O(2)SrCe4Al octahedra, and faces with four equivalent O(1)Sr2Ce2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Ce(1), and one Al(1) atom to form distorted OSr4CeAl octahedra that share  a cornercorner with one O(2)SrCe4Al octahedra, corners with four equivalent O(3)Sr4CeAl octahedra, corners with twelve equivalent O(1)Sr2Ce2Al2 octahedra, edges with four equivalent O(3)Sr4CeAl octahedra, edges with four equivalent O(2)SrCe4Al octahedra, and faces with four equivalent O(1)Sr2Ce2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°.