Materials Data on Ce2Si7Rh15 by Materials Project

Abstract

Ce2Rh15Si7 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a linear geometry to six Rh atoms. There are two shorter (2.46 Å) and four longer (3.31 Å) Ce–Rh bond lengths. In the second Ce site, Ce is bonded in a distorted cuboctahedral geometry to twelve equivalent Rh atoms. All Ce–Rh bond lengths are 3.00 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to two Ce and four Si atoms. There are two shorter (2.41 Å) and two longer (2.64 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a distorted single-bond geometry to one Ce and four equivalent Si atoms. All Rh–Si bond lengths are 2.69 Å. In the third Rh site, Rh is bonded in a 2-coordinate geometry to four Si atoms. There are two shorter (2.36 Å) and two longer (2.54 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to nine Rh atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to eight Rh atoms.