UVS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent U(1) and two equivalent V(1) atoms. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent V(1) atoms to form distorted corner-sharing SU2V2 trigonal pyramids.
UVS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There is one shorter (2.69 Å) and one longer (2.72 Å) U(1)-S(2) bond length. There are a spread of U(1)-S(1) bond distances ranging from 2.77-3.13 Å. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. Both V(1)-S(2) bond lengths are 2.43 Å. All V(1)-S(1) bond lengths are 2.48 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent U(1) and two equivalent V(1) atoms. In the second S site, S(2) is bonded to two equivalent U(1) and two equivalent V(1) atoms to form distorted corner-sharing SU2V2 trigonal pyramids.