Materials Data on NdAgAs2 by Materials Project

Abstract

NdAgAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Nd–As bond distances ranging from 3.04–3.24 Å. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.79 Å) and two longer (2.80 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 Nd3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As2- atoms. Both As–As bond lengths are 2.64 Å.