Materials Data on ScSi2Rh by Materials Project

Abstract

ScRhSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to five equivalent Rh and seven Si atoms. There are a spread of Sc–Rh bond distances ranging from 2.87–3.12 Å. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. Rh is bonded in a 12-coordinate geometry to five equivalent Sc and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Rh, and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, three equivalent Rh, and three equivalent Si atoms.