Materials Data on SmAs2Au by Materials Project

Abstract

SmAuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.99 Å) and four longer (3.15 Å) Sm–As bond lengths. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. All Au–As bond lengths are 2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As3- atoms. All As–As bond lengths are 2.88 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.