Materials Data on KTeP2 by Materials Project

Abstract

KPTeP crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of four phosphine molecules and one KPTe framework. In the KPTe framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four Te2- atoms to form a mixture of distorted corner and edge-sharing KTe4 trigonal pyramids. There are a spread of K–Te bond distances ranging from 3.66–3.74 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–3.88 Å. There are two inequivalent P+0.50+ sites. In the first P+0.50+ site, P+0.50+ is bonded in a single-bond geometry to one Te2- atom. The P–Te bond length is 2.50 Å. In the second P+0.50+ site, P+0.50+ is bonded in a single-bond geometry to one Te2- atom. The P–Te bond length is 2.50 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to five K1+ and one P+0.50+ atom. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to four K1+ and one P+0.50+ atom.