LuYbSO2 crystallizes in the trigonal P3m1 space group. Lu(1) is bonded to three equivalent S(1), one O(1), and three equivalent O(2) atoms to form distorted edge-sharing LuS3O4 trigonal pyramids. Yb(1) is bonded in a 7-coordinate geometry to three equivalent S(1), one O(2), and three equivalent O(1) atoms. S(1) is bonded to three equivalent Lu(1) and three equivalent Yb(1) atoms to form distorted SYb3Lu3 octahedra that share corners with six equivalent O(1)Yb3Lu tetrahedra, corners with six equivalent O(2)YbLu3 trigonal pyramids, edges with six equivalent S(1)Yb3Lu3 octahedra, edges with three equivalent O(1)Yb3Lu tetrahedra, and edges with three equivalent O(2)YbLu3 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Lu(1) and three equivalent Yb(1) atoms to form OYb3Lu tetrahedra that share corners with six equivalent S(1)Yb3Lu3 octahedra, corners with six equivalent O(1)Yb3Lu tetrahedra, edges with three equivalent S(1)Yb3Lu3 octahedra, and edges with three equivalent O(2)YbLu3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 28-47°. In the second O site, O(2) is bonded to three equivalent Lu(1) and one Yb(1) atom to form OYbLu3 trigonal pyramids that share corners with six equivalent S(1)Yb3Lu3 octahedra, corners with six equivalent O(2)YbLu3 trigonal pyramids, edges with three equivalent S(1)Yb3Lu3 octahedra, and edges with three equivalent O(1)Yb3Lu tetrahedra. The corner-sharing octahedral tilt angles range from 34-46°.
LuYbSO2 crystallizes in the trigonal P3m1 space group. Lu(1) is bonded to three equivalent S(1), one O(1), and three equivalent O(2) atoms to form distorted edge-sharing LuS3O4 trigonal pyramids. All Lu(1)-S(1) bond lengths are 2.95 Å. The Lu(1)-O(1) bond length is 2.12 Å. All Lu(1)-O(2) bond lengths are 2.18 Å. Yb(1) is bonded in a 7-coordinate geometry to three equivalent S(1), one O(2), and three equivalent O(1) atoms. All Yb(1)-S(1) bond lengths are 3.00 Å. The Yb(1)-O(2) bond length is 2.41 Å. All Yb(1)-O(1) bond lengths are 2.24 Å. S(1) is bonded to three equivalent Lu(1) and three equivalent Yb(1) atoms to form distorted SYb3Lu3 octahedra that share corners with six equivalent O(1)Yb3Lu tetrahedra, corners with six equivalent O(2)YbLu3 trigonal pyramids, edges with six equivalent S(1)Yb3Lu3 octahedra, edges with three equivalent O(1)Yb3Lu tetrahedra, and edges with three equivalent O(2)YbLu3 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Lu(1) and three equivalent Yb(1) atoms to form OYb3Lu tetrahedra that share corners with six equivalent S(1)Yb3Lu3 octahedra, corners with six equivalent O(1)Yb3Lu tetrahedra, edges with three equivalent S(1)Yb3Lu3 octahedra, and edges with three equivalent O(2)YbLu3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 28-47°. In the second O site, O(2) is bonded to three equivalent Lu(1) and one Yb(1) atom to form OYbLu3 trigonal pyramids that share corners with six equivalent S(1)Yb3Lu3 octahedra, corners with six equivalent O(2)YbLu3 trigonal pyramids, edges with three equivalent S(1)Yb3Lu3 octahedra, and edges with three equivalent O(1)Yb3Lu tetrahedra. The corner-sharing octahedral tilt angles range from 34-46°.