LaSrFeO4 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. La(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing FeO6 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 one Sr(1), four equivalent La(1), and one Fe(1) atom to form distorted OSrLa4Fe octahedra that share  a cornercorner with one O(2)Sr4LaFe octahedra, corners with four equivalent O(1)SrLa4Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with four equivalent O(2)Sr4LaFe octahedra, edges with four equivalent O(1)SrLa4Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one La(1), and one Fe(1) atom to form distorted OSr4LaFe octahedra that share  a cornercorner with one O(1)SrLa4Fe octahedra, corners with four equivalent O(2)Sr4LaFe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with four equivalent O(2)Sr4LaFe octahedra, edges with four equivalent O(1)SrLa4Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Fe(1) atoms to form distorted OSr2La2Fe2 octahedra that share corners with two equivalent O(3)Sr2La2Fe2 octahedra, corners with six equivalent O(2)Sr4LaFe octahedra, corners with six equivalent O(1)SrLa4Fe octahedra, edges with two equivalent O(3)Sr2La2Fe2 octahedra, faces with two equivalent O(2)Sr4LaFe octahedra, faces with two equivalent O(1)SrLa4Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 7-53°.
LaSrFeO4 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 2.41 Å. All Sr(1)-O(2) bond lengths are 2.81 Å. All Sr(1)-O(3) bond lengths are 2.71 Å. La(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The La(1)-O(2) bond length is 2.34 Å. All La(1)-O(1) bond lengths are 2.80 Å. All La(1)-O(3) bond lengths are 2.61 Å. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Fe(1)-O(1) bond length is 2.15 Å. The Fe(1)-O(2) bond length is 2.12 Å. All Fe(1)-O(3) bond lengths are 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent La(1), and one Fe(1) atom to form distorted OSrLa4Fe octahedra that share  a cornercorner with one O(2)Sr4LaFe octahedra, corners with four equivalent O(1)SrLa4Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with four equivalent O(2)Sr4LaFe octahedra, edges with four equivalent O(1)SrLa4Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one La(1), and one Fe(1) atom to form distorted OSr4LaFe octahedra that share  a cornercorner with one O(1)SrLa4Fe octahedra, corners with four equivalent O(2)Sr4LaFe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with four equivalent O(2)Sr4LaFe octahedra, edges with four equivalent O(1)SrLa4Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Fe(1) atoms to form distorted OSr2La2Fe2 octahedra that share corners with two equivalent O(3)Sr2La2Fe2 octahedra, corners with six equivalent O(2)Sr4LaFe octahedra, corners with six equivalent O(1)SrLa4Fe octahedra, edges with two equivalent O(3)Sr2La2Fe2 octahedra, faces with two equivalent O(2)Sr4LaFe octahedra, faces with two equivalent O(1)SrLa4Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 7-53°.