Gd2NiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Gd(1) and two equivalent Ni(1) atoms to form a mixture of edge, face, and corner-sharing OGd4Ni2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded in a 6-coordinate geometry to five equivalent Gd(1) and one Ni(1) atom.
Gd2NiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. All Gd(1)-O(2) bond lengths are 2.52 Å. There is one shorter (2.20 Å) and four longer (2.77 Å) Gd(1)-O(1) bond lengths. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedra are not tilted. Both Ni(1)-O(1) bond lengths are 2.18 Å. All Ni(1)-O(2) bond lengths are 1.92 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Gd(1) and two equivalent Ni(1) atoms to form a mixture of edge, face, and corner-sharing OGd4Ni2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded in a 6-coordinate geometry to five equivalent Gd(1) and one Ni(1) atom.