Materials Data on Sn3SbF9 by Materials Project

Sn3SbF9 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are two shorter (2.15 Å) and two longer (2.33 Å) Sn–F bond lengths. In the second Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.11–2.51 Å. Sb3- is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.37 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn4+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Sn4+ and one Sb3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sn4+ and one Sb3- atom.