LuPrS3 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 corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 48°. Pr(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 Pr(1) atoms to form distorted SPr3Lu2 trigonal bipyramids that share corners with four equivalent S(2)Pr2Lu2 tetrahedra, corners with nine equivalent S(1)Pr3Lu2 trigonal bipyramids, edges with three equivalent S(2)Pr2Lu2 tetrahedra, and edges with six equivalent S(1)Pr3Lu2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Lu(1) and two equivalent Pr(1) atoms to form distorted SPr2Lu2 tetrahedra that share corners with four equivalent S(2)Pr2Lu2 tetrahedra, corners with eight equivalent S(1)Pr3Lu2 trigonal bipyramids, and edges with six equivalent S(1)Pr3Lu2 trigonal bipyramids.
LuPrS3 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 corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Lu(1)-S(2) bond lengths are 2.60 Å. All Lu(1)-S(1) bond lengths are 2.69 Å. Pr(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both Pr(1)-S(2) bond lengths are 2.82 Å. There are four shorter (3.00 Å) and two longer (3.25 Å) Pr(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 Pr(1) atoms to form distorted SPr3Lu2 trigonal bipyramids that share corners with four equivalent S(2)Pr2Lu2 tetrahedra, corners with nine equivalent S(1)Pr3Lu2 trigonal bipyramids, edges with three equivalent S(2)Pr2Lu2 tetrahedra, and edges with six equivalent S(1)Pr3Lu2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Lu(1) and two equivalent Pr(1) atoms to form distorted SPr2Lu2 tetrahedra that share corners with four equivalent S(2)Pr2Lu2 tetrahedra, corners with eight equivalent S(1)Pr3Lu2 trigonal bipyramids, and edges with six equivalent S(1)Pr3Lu2 trigonal bipyramids.