Materials Data on ScSi7Rh3 by Materials Project

Abstract

ScRh3Si7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Si+1.71- atoms to form edge-sharing ScSi12 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.17 Å) Sc–Si bond lengths. Rh3+ is bonded in a 7-coordinate geometry to seven Si+1.71- atoms. There are five shorter (2.44 Å) and two longer (2.50 Å) Rh–Si bond lengths. There are two inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and three equivalent Rh3+ atoms. In the second Si+1.71- site, Si+1.71- is bonded in a trigonal planar geometry to three equivalent Rh3+ atoms.