Materials Data on LaAs2Au by Materials Project

Abstract

LaAuAs2 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of La–As bond distances ranging from 3.07–3.29 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing AuAs4 tetrahedra. There are two shorter (2.77 Å) and two longer (2.81 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 La3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four equivalent La3+ and three equivalent As3- atoms. There are one shorter (2.55 Å) and two longer (2.97 Å) As–As bond lengths.