Materials Data on GdAs2Au by Materials Project

Abstract

GdAuAs2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Gd–As bond distances ranging from 2.96–3.17 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are two shorter (2.80 Å) and two longer (2.82 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Gd3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four equivalent Gd3+ and three equivalent As3- atoms. There are one shorter (2.60 Å) and two longer (2.87 Å) As–As bond lengths.