Lu2S3 crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner, face, and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Lu site, Lu(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of corner and face-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third Lu site, Lu(3) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner, face, and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the fourth Lu site, Lu(4) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form a mixture of corner, face, and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Lu(1), two equivalent Lu(3), and two equivalent Lu(4) atoms to form distorted SLu5 trigonal bipyramids that share corners with two equivalent S(1)Lu5 trigonal bipyramids, corners with three equivalent S(2)Lu4 trigonal pyramids, edges with four equivalent S(1)Lu5 trigonal bipyramids, and edges with three equivalent S(2)Lu4 trigonal pyramids. In the second S site, S(2) is bonded to one Lu(1), one Lu(2), and two equivalent Lu(3) atoms to form SLu4 trigonal pyramids that share corners with three equivalent S(1)Lu5 trigonal bipyramids, corners with four equivalent S(2)Lu4 trigonal pyramids, edges with three equivalent S(1)Lu5 trigonal bipyramids, and edges with two equivalent S(2)Lu4 trigonal pyramids. In the third S site, S(3) is bonded in a trigonal planar geometry to one Lu(2) and two equivalent Lu(4) atoms.
Lu2S3 crystallizes in the hexagonal P6_3cm space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner, face, and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Lu(1)-S(1) bond lengths are 2.70 Å. All Lu(1)-S(2) bond lengths are 2.70 Å. In the second Lu site, Lu(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of corner and face-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. All Lu(2)-S(2) bond lengths are 2.79 Å. All Lu(2)-S(3) bond lengths are 2.58 Å. In the third Lu site, Lu(3) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner, face, and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. All Lu(3)-S(1) bond lengths are 2.76 Å. All Lu(3)-S(2) bond lengths are 2.61 Å. In the fourth Lu site, Lu(4) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form a mixture of corner, face, and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. All Lu(4)-S(1) bond lengths are 2.85 Å. All Lu(4)-S(3) bond lengths are 2.54 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Lu(1), two equivalent Lu(3), and two equivalent Lu(4) atoms to form distorted SLu5 trigonal bipyramids that share corners with two equivalent S(1)Lu5 trigonal bipyramids, corners with three equivalent S(2)Lu4 trigonal pyramids, edges with four equivalent S(1)Lu5 trigonal bipyramids, and edges with three equivalent S(2)Lu4 trigonal pyramids. In the second S site, S(2) is bonded to one Lu(1), one Lu(2), and two equivalent Lu(3) atoms to form SLu4 trigonal pyramids that share corners with three equivalent S(1)Lu5 trigonal bipyramids, corners with four equivalent S(2)Lu4 trigonal pyramids, edges with three equivalent S(1)Lu5 trigonal bipyramids, and edges with two equivalent S(2)Lu4 trigonal pyramids. In the third S site, S(3) is bonded in a trigonal planar geometry to one Lu(2) and two equivalent Lu(4) atoms.