Materials Data on Pr(PPt)2 by Materials Project

Abstract

Pr(PtP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.23 Å) and four longer (3.24 Å) Pr–P bond lengths. There are two inequivalent Pt+1.50+ sites. In the first Pt+1.50+ site, Pt+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.40 Å) and four longer (2.42 Å) Pt–P bond lengths. In the second Pt+1.50+ site, Pt+1.50+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent P3- atoms. All Pt–P bond lengths are 2.54 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 10-coordinate geometry to four equivalent Pr3+, five Pt+1.50+, and one P3- atom. The P–P bond length is 2.69 Å. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent Pt+1.50+ atoms.