LaScS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(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 corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Sc(1) atoms. In the second S site, S(2) is bonded to two equivalent La(1) and two equivalent Sc(1) atoms to form distorted corner-sharing SLa2Sc2 trigonal pyramids.
LaScS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. There is one shorter (2.87 Å) and one longer (2.88 Å) La(1)-S(2) bond length. There are a spread of La(1)-S(1) bond distances ranging from 2.92-3.37 Å. Sc(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. Both Sc(1)-S(2) bond lengths are 2.55 Å. There are two shorter (2.56 Å) and two longer (2.60 Å) Sc(1)-S(1) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Sc(1) atoms. In the second S site, S(2) is bonded to two equivalent La(1) and two equivalent Sc(1) atoms to form distorted corner-sharing SLa2Sc2 trigonal pyramids.