Materials Data on PrP2 by Materials Project

Abstract

PPPr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine P+1.50- atoms. There are a spread of Pr–P bond distances ranging from 2.94–3.19 Å. There are two inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two P+1.50- atoms. There are one shorter (2.23 Å) and one longer (2.29 Å) P–P bond lengths. In the second P+1.50- site, P+1.50- is bonded to five equivalent Pr3+ and one P+1.50- atom to form a mixture of distorted corner and edge-sharing PPr5P pentagonal pyramids.