UScS3 crystallizes in the orthorhombic Cmcm space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent U(1) and two equivalent Sc(1) atoms to form distorted SSc2U3 trigonal bipyramids that share corners with four equivalent S(2)Sc2U2 tetrahedra, corners with nine equivalent S(1)Sc2U3 trigonal bipyramids, edges with three equivalent S(2)Sc2U2 tetrahedra, and edges with six equivalent S(1)Sc2U3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent Sc(1) atoms to form distorted SSc2U2 tetrahedra that share corners with four equivalent S(2)Sc2U2 tetrahedra, corners with eight equivalent S(1)Sc2U3 trigonal bipyramids, and edges with six equivalent S(1)Sc2U3 trigonal bipyramids.
UScS3 crystallizes in the orthorhombic Cmcm space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both U(1)-S(2) bond lengths are 2.77 Å. There are four shorter (2.90 Å) and two longer (3.15 Å) U(1)-S(1) bond lengths. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner and edge-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles are 47°. Both Sc(1)-S(2) bond lengths are 2.51 Å. All Sc(1)-S(1) bond lengths are 2.61 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent U(1) and two equivalent Sc(1) atoms to form distorted SSc2U3 trigonal bipyramids that share corners with four equivalent S(2)Sc2U2 tetrahedra, corners with nine equivalent S(1)Sc2U3 trigonal bipyramids, edges with three equivalent S(2)Sc2U2 tetrahedra, and edges with six equivalent S(1)Sc2U3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent Sc(1) atoms to form distorted SSc2U2 tetrahedra that share corners with four equivalent S(2)Sc2U2 tetrahedra, corners with eight equivalent S(1)Sc2U3 trigonal bipyramids, and edges with six equivalent S(1)Sc2U3 trigonal bipyramids.