Materials Data on ScIn2 by Materials Project
ScIn2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to ten In atoms. There are a spread of Sc–In bond distances ranging from 3.09–3.22 Å. There are three inequivalent In sites. In the first In site, In is bonded to six equivalent Sc and six In atoms to form a mixture of distorted edge, face, and corner-sharing InSc6In6 cuboctahedra. There are a spread of In–In bond distances ranging from 3.04–3.30 Å. In the second In site, In is bonded to four equivalent Sc and four equivalent In atoms to form a mixture of distorted edge and corner-sharing InSc4In4 cuboctahedra. In the third In site, In is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent In atoms.