Lu3Sb5O12 crystallizes in the cubic I-43m space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1), one Sb(1), and one Sb(2) atom to form distorted corner-sharing OLu2Sb2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Sb(2) atom.
Lu3Sb5O12 crystallizes in the cubic I-43m space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Lu(1)-O(1) bond lengths are 2.52 Å. All Lu(1)-O(2) bond lengths are 2.18 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. All Sb(1)-O(1) bond lengths are 2.01 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Sb(2)-O(1) bond lengths are 2.18 Å. Both Sb(2)-O(2) bond lengths are 1.97 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1), one Sb(1), and one Sb(2) atom to form distorted corner-sharing OLu2Sb2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Sb(2) atom.