LaSrNiO4 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. Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing NiO6 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 Ni(1) atom to form distorted OSrLa4Ni octahedra that share  a cornercorner with one O(2)Sr4LaNi octahedra, corners with four equivalent O(1)SrLa4Ni octahedra, corners with twelve equivalent O(3)Sr2La2Ni2 octahedra, edges with four equivalent O(2)Sr4LaNi octahedra, edges with four equivalent O(1)SrLa4Ni octahedra, and faces with four equivalent O(3)Sr2La2Ni2 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 Ni(1) atom to form distorted OSr4LaNi octahedra that share  a cornercorner with one O(1)SrLa4Ni octahedra, corners with four equivalent O(2)Sr4LaNi octahedra, corners with twelve equivalent O(3)Sr2La2Ni2 octahedra, edges with four equivalent O(2)Sr4LaNi octahedra, edges with four equivalent O(1)SrLa4Ni octahedra, and faces with four equivalent O(3)Sr2La2Ni2 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 Ni(1) atoms to form distorted OSr2La2Ni2 octahedra that share corners with two equivalent O(3)Sr2La2Ni2 octahedra, corners with six equivalent O(2)Sr4LaNi octahedra, corners with six equivalent O(1)SrLa4Ni octahedra, edges with two equivalent O(3)Sr2La2Ni2 octahedra, faces with two equivalent O(2)Sr4LaNi octahedra, faces with two equivalent O(1)SrLa4Ni octahedra, and faces with four equivalent O(3)Sr2La2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 7-53°.
LaSrNiO4 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 2.46 Å. All Sr(1)-O(2) bond lengths are 2.76 Å. All Sr(1)-O(3) bond lengths are 2.65 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 2.36 Å. All La(1)-O(1) bond lengths are 2.75 Å. All La(1)-O(3) bond lengths are 2.55 Å. Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Ni(1)-O(1) bond length is 2.08 Å. The Ni(1)-O(2) bond length is 2.10 Å. All Ni(1)-O(3) bond lengths are 1.94 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 Ni(1) atom to form distorted OSrLa4Ni octahedra that share  a cornercorner with one O(2)Sr4LaNi octahedra, corners with four equivalent O(1)SrLa4Ni octahedra, corners with twelve equivalent O(3)Sr2La2Ni2 octahedra, edges with four equivalent O(2)Sr4LaNi octahedra, edges with four equivalent O(1)SrLa4Ni octahedra, and faces with four equivalent O(3)Sr2La2Ni2 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 Ni(1) atom to form distorted OSr4LaNi octahedra that share  a cornercorner with one O(1)SrLa4Ni octahedra, corners with four equivalent O(2)Sr4LaNi octahedra, corners with twelve equivalent O(3)Sr2La2Ni2 octahedra, edges with four equivalent O(2)Sr4LaNi octahedra, edges with four equivalent O(1)SrLa4Ni octahedra, and faces with four equivalent O(3)Sr2La2Ni2 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 Ni(1) atoms to form distorted OSr2La2Ni2 octahedra that share corners with two equivalent O(3)Sr2La2Ni2 octahedra, corners with six equivalent O(2)Sr4LaNi octahedra, corners with six equivalent O(1)SrLa4Ni octahedra, edges with two equivalent O(3)Sr2La2Ni2 octahedra, faces with two equivalent O(2)Sr4LaNi octahedra, faces with two equivalent O(1)SrLa4Ni octahedra, and faces with four equivalent O(3)Sr2La2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 7-53°.