Materials Data on KLi2O3 by Materials Project

Abstract

KLi2O3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.77–3.11 Å. Li is bonded to four O atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.01 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to one K and four equivalent Li atoms. In the second O site, O is bonded in a 2-coordinate geometry to three equivalent K and two equivalent Li atoms. In the third O site, O is bonded in a 2-coordinate geometry to three equivalent K and two equivalent Li atoms.