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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sn2IF3 by Materials Project

Sn2IF3 crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two Sn2IF3 sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a 4-coordinate geometry to one I1- and four F1- atoms. The Sn–I bond length is 3.54 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Sn2+ and two equivalent F1- atoms. Both I–F bond lengths are 3.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ and one I1- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn2IF3 by Materials Project

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.

36 MATERIALS SCIENCE↗