Materials Data on PrAs2 by Materials Project

Abstract

PrAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Pr–As bond distances ranging from 3.04–3.25 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Pr3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsPr5As pentagonal pyramids. The As–As bond length is 2.52 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two As+1.50- atoms. The As–As bond length is 2.55 Å.