Materials Data on CeAs2Au by Materials Project

Abstract

CeAuAs2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Ce–As bond distances ranging from 3.03–3.09 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.80–2.86 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As3- atoms. All As–As bond lengths are 2.93 Å.