Materials Data on P4PtBrO10 by Materials Project

Abstract

PtP2O5BrP2O5 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four diphosphonate molecules and two PtP2O5Br clusters. In each PtP2O5Br cluster, Pt2+ is bonded in a 2-coordinate geometry to one O2- and one Br1- atom. The Pt–O bond length is 2.09 Å. The Pt–Br bond length is 2.39 Å. There are two inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a 4-coordinate geometry to three O2- and one Br1- atom. There are a spread of P–O bond distances ranging from 1.46–1.66 Å. The P–Br bond length is 2.73 Å. In the second P+4.75+ site, P+4.75+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.46–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Pt2+ and one P+4.75+ atom. Br1- is bonded in a distorted bent 120 degrees geometry to one Pt2+ and one P+4.75+ atom.