Materials Data on KLiSnO2 by Materials Project

Abstract

KLiSnO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one KLiSnO2 sheet oriented in the (0, 0, 1) direction. K1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.75 Å) and two longer (2.89 Å) K–O bond lengths. Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–1.99 Å. Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.07 Å) and two longer (2.20 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, three equivalent Li1+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+, one Li1+, and two equivalent Sn2+ atoms.