Materials Data on Ce3(SiRh)2 by Materials Project

Abstract

Ce3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.00–3.29 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (2.91 Å) and two longer (3.11 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.03–3.37 Å. Rh is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to eight Ce and four equivalent Rh atoms to form a mixture of distorted edge, corner, and face-sharing SiCe8Rh4 cuboctahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Ce and two equivalent Rh atoms.