Materials Data on NdAgAs2 by Materials Project

Abstract

NdAgAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.04 Å) and four longer (3.18 Å) Nd–As bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.88 Å. All Ag–As bond lengths are 2.79 Å. 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 8-coordinate geometry to four equivalent Nd3+ and four equivalent As2- atoms. All As–As bond lengths are 2.88 Å.