Lu2V2O7 crystallizes in the cubic Fd-3m space group. Lu(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. V(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent V(1) atoms to form OLu2V2 tetrahedra that share corners with two equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra,  an edgeedge with one O(2)V4 tetrahedra, and edges with four equivalent O(1)Lu2V2 tetrahedra. In the second O site, O(2) is bonded to four equivalent V(1) atoms to form OV4 tetrahedra that share corners with four equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra, and edges with six equivalent O(1)Lu2V2 tetrahedra.
Lu2V2O7 crystallizes in the cubic Fd-3m space group. Lu(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Lu(1)-O(1) bond lengths are 2.19 Å. V(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. Both V(1)-O(2) bond lengths are 2.17 Å. All V(1)-O(1) bond lengths are 2.15 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent V(1) atoms to form OLu2V2 tetrahedra that share corners with two equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra,  an edgeedge with one O(2)V4 tetrahedra, and edges with four equivalent O(1)Lu2V2 tetrahedra. In the second O site, O(2) is bonded to four equivalent V(1) atoms to form OV4 tetrahedra that share corners with four equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra, and edges with six equivalent O(1)Lu2V2 tetrahedra.