DOE OSTI2020
Sn4OF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. In the second Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.13–2.42 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.14–2.60 Å. In the fourth Sn2+ site, Sn2+ 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 2.11–2.32 Å. O2- is bonded in a trigonal planar geometry to three Sn2+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.