Materials Data on Sn2IF3 by Materials Project

Abstract

Sn2IF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sn2+ is bonded in a 4-coordinate geometry to two equivalent I1- and four F1- atoms. Both Sn–I bond lengths are 3.57 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.39 Å. I1- is bonded in a 11-coordinate geometry to four equivalent Sn2+ and seven F1- atoms. There are a spread of I–F bond distances ranging from 3.62–3.91 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ and two equivalent I1- atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn2+ and three equivalent I1- atoms.