Materials Data on K4P4O5 by Materials Project

Abstract

K4P3O5P crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional and consists of two phosphine molecules and one K4P3O5 framework. In the K4P3O5 framework, there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.63–3.20 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.17 Å. In the third K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.63–2.95 Å. In the fourth K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.58–2.87 Å. There are three inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.69 Å. In the second P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.54 Å. In the third P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one O2- atom. The P–O bond length is 1.75 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one P+1.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one P+1.50+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one P+1.50+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three K1+ and two P+1.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+1.50+ atom.