LaSrCuO4 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. La(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Cu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing CuO6 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 La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(1)Sr2La2Cu2 octahedra, corners with six equivalent O(3)Sr4LaCu octahedra, corners with six equivalent O(2)SrLa4Cu octahedra, edges with two equivalent O(1)Sr2La2Cu2 octahedra, faces with two equivalent O(3)Sr4LaCu octahedra, faces with two equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the second O site, O(2) is bonded to one Sr(1), four equivalent La(1), and one Cu(1) atom to form distorted OSrLa4Cu octahedra that share  a cornercorner with one O(3)Sr4LaCu octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one La(1), and one Cu(1) atom to form distorted OSr4LaCu octahedra that share  a cornercorner with one O(2)SrLa4Cu octahedra, corners with four equivalent O(3)Sr4LaCu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°.
LaSrCuO4 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 2.46 Å. All Sr(1)-O(1) bond lengths are 2.66 Å. All Sr(1)-O(3) bond lengths are 2.77 Å. La(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. The La(1)-O(3) bond length is 2.34 Å. All La(1)-O(1) bond lengths are 2.57 Å. All La(1)-O(2) bond lengths are 2.75 Å. Cu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 6°. The Cu(1)-O(2) bond length is 2.09 Å. The Cu(1)-O(3) bond length is 2.16 Å. All Cu(1)-O(1) bond lengths are 1.94 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(1)Sr2La2Cu2 octahedra, corners with six equivalent O(3)Sr4LaCu octahedra, corners with six equivalent O(2)SrLa4Cu octahedra, edges with two equivalent O(1)Sr2La2Cu2 octahedra, faces with two equivalent O(3)Sr4LaCu octahedra, faces with two equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the second O site, O(2) is bonded to one Sr(1), four equivalent La(1), and one Cu(1) atom to form distorted OSrLa4Cu octahedra that share  a cornercorner with one O(3)Sr4LaCu octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one La(1), and one Cu(1) atom to form distorted OSr4LaCu octahedra that share  a cornercorner with one O(2)SrLa4Cu octahedra, corners with four equivalent O(3)Sr4LaCu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°.