Materials Data on HgPPt5 by Materials Project

Abstract

Pt5HgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to eight equivalent Pt+1.20- and four equivalent Hg1+ atoms. All Pt–Pt bond lengths are 2.96 Å. All Pt–Hg bond lengths are 2.82 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to seven Pt+1.20-, two equivalent Hg1+, and two equivalent P5+ atoms. There are four shorter (2.82 Å) and one longer (2.85 Å) Pt–Pt bond lengths. Both Pt–Hg bond lengths are 2.96 Å. Both Pt–P bond lengths are 2.45 Å. Hg1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing HgPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.