Materials Data on K2P4PtBrO11 by Materials Project

Abstract

K2P4O11PtBr crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of eight bromoplatinum molecules and two K2P4O11 sheets oriented in the (0, 0, 1) direction. In each K2P4O11 sheet, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.84–3.22 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.76–2.86 Å. There are two inequivalent P+4.75+ sites. In the first 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 1.48–1.66 Å. In the second P+4.75+ site, P+4.75+ is bonded to four O2- atoms to form edge-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.67 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one K1+ and one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.75+ atoms. In the sixth O2- site, O2- is bonded in an L-shaped geometry to two equivalent P+4.75+ atoms. In the seventh O2- site, O2- is bonded in a distorted L-shaped geometry to one K1+ and two equivalent P+4.75+ atoms.