Gd2CuO4 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with twelve equivalent O(1)Gd4Cu2 octahedra, corners with four equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, and edges with four equivalent O(2)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the second O site, O(1) is bonded to four equivalent Gd(1) and two equivalent Cu(1) atoms to form distorted OGd4Cu2 octahedra that share corners with two equivalent O(1)Gd4Cu2 octahedra, corners with twelve equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, edges with two equivalent O(2)Gd4 tetrahedra, and faces with four equivalent O(1)Gd4Cu2 octahedra. The corner-sharing octahedra are not tilted.
Gd2CuO4 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Gd(1)-O(1) bond lengths are 2.63 Å. All Gd(1)-O(2) bond lengths are 2.27 Å. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Gd(1) atoms to form OGd4 tetrahedra that share corners with twelve equivalent O(1)Gd4Cu2 octahedra, corners with four equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, and edges with four equivalent O(2)Gd4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-69°. In the second O site, O(1) is bonded to four equivalent Gd(1) and two equivalent Cu(1) atoms to form distorted OGd4Cu2 octahedra that share corners with two equivalent O(1)Gd4Cu2 octahedra, corners with twelve equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(1)Gd4Cu2 octahedra, edges with two equivalent O(2)Gd4 tetrahedra, and faces with four equivalent O(1)Gd4Cu2 octahedra. The corner-sharing octahedra are not tilted.