SmSrNiO4 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. Sm(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 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sm(1), and one Ni(1) atom to form distorted OSrSm4Ni octahedra that share  a cornercorner with one O(2)Sr4SmNi octahedra, corners with four equivalent O(1)SrSm4Ni octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Sm(1), and one Ni(1) atom to form distorted OSr4SmNi octahedra that share  a cornercorner with one O(1)SrSm4Ni octahedra, corners with four equivalent O(2)Sr4SmNi octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 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 Sm(1), and two equivalent Ni(1) atoms to form distorted OSr2Sm2Ni2 octahedra that share corners with two equivalent O(3)Sr2Sm2Ni2 octahedra, corners with six equivalent O(2)Sr4SmNi octahedra, corners with six equivalent O(1)SrSm4Ni octahedra, edges with two equivalent O(3)Sr2Sm2Ni2 octahedra, faces with two equivalent O(2)Sr4SmNi octahedra, faces with two equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°.
SmSrNiO4 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 2.73 Å. All Sr(1)-O(3) bond lengths are 2.67 Å. Sm(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The Sm(1)-O(2) bond length is 2.31 Å. All Sm(1)-O(1) bond lengths are 2.71 Å. All Sm(1)-O(3) bond lengths are 2.47 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 10°. The Ni(1)-O(1) bond length is 2.04 Å. The Ni(1)-O(2) bond length is 2.11 Å. All Ni(1)-O(3) bond lengths are 1.91 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Sm(1), and one Ni(1) atom to form distorted OSrSm4Ni octahedra that share  a cornercorner with one O(2)Sr4SmNi octahedra, corners with four equivalent O(1)SrSm4Ni octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Sm(1), and one Ni(1) atom to form distorted OSr4SmNi octahedra that share  a cornercorner with one O(1)SrSm4Ni octahedra, corners with four equivalent O(2)Sr4SmNi octahedra, corners with twelve equivalent O(3)Sr2Sm2Ni2 octahedra, edges with four equivalent O(2)Sr4SmNi octahedra, edges with four equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 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 Sm(1), and two equivalent Ni(1) atoms to form distorted OSr2Sm2Ni2 octahedra that share corners with two equivalent O(3)Sr2Sm2Ni2 octahedra, corners with six equivalent O(2)Sr4SmNi octahedra, corners with six equivalent O(1)SrSm4Ni octahedra, edges with two equivalent O(3)Sr2Sm2Ni2 octahedra, faces with two equivalent O(2)Sr4SmNi octahedra, faces with two equivalent O(1)SrSm4Ni octahedra, and faces with four equivalent O(3)Sr2Sm2Ni2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°.