Materials Data on Sn3(OF)2 by Materials Project

Abstract

Sn3(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two Sn3(OF)2 ribbons oriented in the (1, 0, 0) direction. there are three inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.31 Å) and two longer (2.34 Å) Sn–O bond lengths. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.19 Å. The Sn–F bond length is 2.11 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to two equivalent O2- and one F1- atom. Both Sn–O bond lengths are 2.20 Å. The Sn–F bond length is 2.08 Å. O2- is bonded to four Sn2+ atoms to form a mixture of edge and corner-sharing OSn4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sn2+ atom.