Materials Data on Sn4SF6 by Materials Project

Abstract

Sn4SF6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Sn4SF6 sheet oriented in the (-1, 0, 1) direction. there are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to one S2- and three F1- atoms. The Sn–S bond length is 2.60 Å. There are one shorter (2.17 Å) and two longer (2.35 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to one S2- and four F1- atoms. The Sn–S bond length is 3.00 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.58 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 2.17–2.56 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted square pyramidal geometry to one S2- and four F1- atoms. The Sn–S bond length is 2.57 Å. There are a spread of Sn–F bond distances ranging from 2.22–2.66 Å. S2- is bonded in a 2-coordinate geometry to three Sn2+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to three Sn2+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two Sn2+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms.