Materials Data on SnNF3 by Materials Project

Abstract

SnNF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sn4+ is bonded to six F1- atoms to form distorted edge-sharing SnF6 pentagonal pyramids. There are a spread of Sn–F bond distances ranging from 2.17–2.20 Å. N1- is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of N–F bond distances ranging from 2.93–3.29 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn4+ and three equivalent N1- atoms. In the second F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn4+ and three equivalent N1- atoms. In the third F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Sn4+ and three equivalent N1- atoms.