Materials Data on SmCuTeS by Materials Project

Abstract

SmCuTeS crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent Te2- and four equivalent S2- atoms. There are a spread of Sm–Te bond distances ranging from 3.21–3.47 Å. There are a spread of Sm–S bond distances ranging from 2.83–2.91 Å. Cu1+ is bonded to three equivalent Te2- and one S2- atom to form corner-sharing CuTe3S tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.64 Å. The Cu–S bond length is 2.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and three equivalent Cu1+ atoms. S2- is bonded to four equivalent Sm3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SSm4Cu trigonal bipyramids.