Materials Data on LiSb2F7 by Materials Project

Abstract

LiSb2F7 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiSb2F7 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.95–2.01 Å. Sb3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 1.97–2.34 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and two equivalent Sb3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.