Materials Data on Sn2ClF3 by Materials Project

Abstract

Sn2ClF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three F1- atoms. There are one shorter (2.15 Å) and two longer (2.16 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three equivalent Cl1- and three F1- atoms. There are one shorter (3.18 Å) and two longer (3.19 Å) Sn–Cl bond lengths. All Sn–F bond lengths are 2.21 Å. Cl1- is bonded in a 12-coordinate geometry to three equivalent Sn2+ and nine F1- atoms. There are a spread of Cl–F bond distances ranging from 3.24–3.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms.