Lu2Ta2O5 crystallizes in the tetragonal P4/mmm space group. Lu(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Ta site, Ta(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Ta(1) atoms to form OLu2Ta2 tetrahedra that share corners with two equivalent O(2)Lu2Ta4 octahedra, corners with ten equivalent O(1)Lu2Ta2 tetrahedra, and edges with five equivalent O(1)Lu2Ta2 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second O site, O(2) is bonded to two equivalent Lu(1) and four equivalent Ta(2) atoms to form OLu2Ta4 octahedra that share corners with four equivalent O(2)Lu2Ta4 octahedra, corners with eight equivalent O(1)Lu2Ta2 tetrahedra, and edges with four equivalent O(2)Lu2Ta4 octahedra. The corner-sharing octahedra are not tilted.
Lu2Ta2O5 crystallizes in the tetragonal P4/mmm space group. Lu(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. The Lu(1)-O(2) bond length is 2.30 Å. All Lu(1)-O(1) bond lengths are 2.21 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Ta(1)-O(1) bond lengths are 2.11 Å. In the second Ta site, Ta(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Ta(2)-O(2) bond lengths are 2.45 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Ta(1) atoms to form OLu2Ta2 tetrahedra that share corners with two equivalent O(2)Lu2Ta4 octahedra, corners with ten equivalent O(1)Lu2Ta2 tetrahedra, and edges with five equivalent O(1)Lu2Ta2 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second O site, O(2) is bonded to two equivalent Lu(1) and four equivalent Ta(2) atoms to form OLu2Ta4 octahedra that share corners with four equivalent O(2)Lu2Ta4 octahedra, corners with eight equivalent O(1)Lu2Ta2 tetrahedra, and edges with four equivalent O(2)Lu2Ta4 octahedra. The corner-sharing octahedra are not tilted.