LaSrFeO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three 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 octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), three equivalent La(1), and one Fe(1) atom to form distorted OSr2La3Fe octahedra that share  a cornercorner with one O(2)Sr3La2Fe octahedra, corners with four equivalent O(1)Sr2La3Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(1)Sr2La3Fe octahedra, edges with six equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Fe(1) atom to form distorted OSr3La2Fe octahedra that share  a cornercorner with one O(1)Sr2La3Fe octahedra, corners with four equivalent O(2)Sr3La2Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(2)Sr3La2Fe octahedra, edges with six equivalent O(1)Sr2La3Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 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 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(1)Sr2La3Fe octahedra, corners with six equivalent O(2)Sr3La2Fe octahedra, edges with two equivalent O(3)Sr2La2Fe2 octahedra, faces with two equivalent O(1)Sr2La3Fe octahedra, faces with two equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-55°.
LaSrFeO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. Both Sr(1)-O(1) bond lengths are 2.81 Å. There is one shorter (2.42 Å) and two longer (2.80 Å) Sr(1)-O(2) bond lengths. All Sr(1)-O(3) bond lengths are 2.68 Å. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Both La(1)-O(2) bond lengths are 2.80 Å. There is one shorter (2.31 Å) and two longer (2.83 Å) La(1)-O(1) bond lengths. All La(1)-O(3) bond lengths are 2.65 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 octahedra are not tilted. The Fe(1)-O(1) bond length is 2.32 Å. The Fe(1)-O(2) bond length is 2.02 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 two equivalent Sr(1), three equivalent La(1), and one Fe(1) atom to form distorted OSr2La3Fe octahedra that share  a cornercorner with one O(2)Sr3La2Fe octahedra, corners with four equivalent O(1)Sr2La3Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(1)Sr2La3Fe octahedra, edges with six equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Fe(1) atom to form distorted OSr3La2Fe octahedra that share  a cornercorner with one O(1)Sr2La3Fe octahedra, corners with four equivalent O(2)Sr3La2Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(2)Sr3La2Fe octahedra, edges with six equivalent O(1)Sr2La3Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 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 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(1)Sr2La3Fe octahedra, corners with six equivalent O(2)Sr3La2Fe octahedra, edges with two equivalent O(3)Sr2La2Fe2 octahedra, faces with two equivalent O(1)Sr2La3Fe octahedra, faces with two equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-55°.