Materials Data on Ce(SiAu2)2 by Materials Project

Abstract

CeAu4Si2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two CeAu4Si2 sheets oriented in the (0, 1, 0) direction. Ce4+ is bonded to eight Au1- atoms to form distorted edge-sharing CeAu8 hexagonal bipyramids. There are four shorter (3.26 Å) and four longer (3.27 Å) Ce–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. In the second Au1- site, Au1- is bonded in a distorted bent 120 degrees geometry to two equivalent Ce4+ and two equivalent Si atoms. Both Au–Si bond lengths are 2.52 Å. Si is bonded in a 5-coordinate geometry to four Au1- and one Si atom. The Si–Si bond length is 2.35 Å.