Materials Data on Li2PtO6 by Materials Project

Abstract

Li2PtO6 is trigonal omega-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Li2PtO6 sheet oriented in the (0, 0, 1) direction. Li is bonded to six O atoms to form LiO6 octahedra that share edges with three equivalent LiO6 octahedra and edges with three equivalent PtO6 octahedra. There are a spread of Li–O bond distances ranging from 2.16–2.18 Å. Pt is bonded to six O atoms to form PtO6 octahedra that share edges with six equivalent LiO6 octahedra. There is one shorter (1.92 Å) and five longer (1.93 Å) Pt–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Pt atom.