Materials Data on SmAgAs2 by Materials Project

Abstract

SmAgAs2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Sm–As bond distances ranging from 2.99–3.16 Å. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.85 Å. There are two shorter (2.78 Å) and two longer (2.79 Å) Ag–As bond lengths. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As2- atoms. All As–As bond lengths are 2.85 Å.