LuNdS3 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 49°. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(1) and three equivalent Nd(1) atoms to form distorted SNd3Lu2 trigonal bipyramids that share corners with four equivalent S(2)Nd2Lu2 tetrahedra, corners with nine equivalent S(1)Nd3Lu2 trigonal bipyramids, edges with three equivalent S(2)Nd2Lu2 tetrahedra, and edges with six equivalent S(1)Nd3Lu2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Lu(1) and two equivalent Nd(1) atoms to form distorted SNd2Lu2 tetrahedra that share corners with four equivalent S(2)Nd2Lu2 tetrahedra, corners with eight equivalent S(1)Nd3Lu2 trigonal bipyramids, and edges with six equivalent S(1)Nd3Lu2 trigonal bipyramids.
LuNdS3 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of edge and corner-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 49°. Both Lu(1)-S(2) bond lengths are 2.60 Å. All Lu(1)-S(1) bond lengths are 2.69 Å. Nd(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both Nd(1)-S(2) bond lengths are 2.79 Å. There are four shorter (2.97 Å) and two longer (3.24 Å) Nd(1)-S(1) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(1) and three equivalent Nd(1) atoms to form distorted SNd3Lu2 trigonal bipyramids that share corners with four equivalent S(2)Nd2Lu2 tetrahedra, corners with nine equivalent S(1)Nd3Lu2 trigonal bipyramids, edges with three equivalent S(2)Nd2Lu2 tetrahedra, and edges with six equivalent S(1)Nd3Lu2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Lu(1) and two equivalent Nd(1) atoms to form distorted SNd2Lu2 tetrahedra that share corners with four equivalent S(2)Nd2Lu2 tetrahedra, corners with eight equivalent S(1)Nd3Lu2 trigonal bipyramids, and edges with six equivalent S(1)Nd3Lu2 trigonal bipyramids.