Materials Data on Sn3F8 by Materials Project

Abstract

Sn3F8 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Sn3F8 sheet oriented in the (-1, 0, 2) direction. there are two inequivalent Sn+2.67+ sites. In the first Sn+2.67+ site, Sn+2.67+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Sn–F bond distances ranging from 2.15–2.71 Å. In the second Sn+2.67+ site, Sn+2.67+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sn–F bond distances ranging from 1.99–2.03 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sn+2.67+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to two Sn+2.67+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two Sn+2.67+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn+2.67+ atoms.