Materials Data on Sn3BrF5 by Materials Project

Abstract

Sn3BrF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to one Br1- and three F1- atoms. The Sn–Br bond length is 3.31 Å. There are a spread of Sn–F bond distances ranging from 2.19–2.22 Å. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to one Br1- and three F1- atoms. The Sn–Br bond length is 3.33 Å. There are a spread of Sn–F bond distances ranging from 2.20–2.22 Å. In the third Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.20–2.55 Å. Br1- is bonded in a 2-coordinate geometry to two Sn2+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Sn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn2+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two Sn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ atoms.