Materials Data on C12SeF10 by Materials Project

Abstract

(CF)4C8SeF6 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of eight fluoromethane molecules and one C8SeF6 ribbon oriented in the (0, 1, 0) direction. In the C8SeF6 ribbon, there are eight inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one F1- atom. The C–C bond length is 1.40 Å. The C–F bond length is 1.35 Å. In the second C1+ site, C1+ is bonded in a distorted trigonal planar geometry to two C1+ and one Se2- atom. The C–C bond length is 1.40 Å. The C–Se bond length is 1.93 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one F1- atom. The C–C bond length is 1.40 Å. The C–F bond length is 1.35 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the fifth C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one F1- atom. The C–F bond length is 1.35 Å. In the sixth C1+ site, C1+ is bonded in a distorted trigonal planar geometry to two C1+ and one Se2- atom. The C–C bond length is 1.40 Å. The C–Se bond length is 1.93 Å. In the seventh C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one F1- atom. The C–F bond length is 1.35 Å. In the eighth C1+ site, C1+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. Se2- is bonded in a 2-coordinate geometry to two C1+ and seven F1- atoms. There are a spread of Se–F bond distances ranging from 3.12–3.58 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C1+ and one Se2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C1+ and one Se2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C1+ and one Se2- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C1+ and one Se2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one C1+ and two equivalent Se2- atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one C1+ and one Se2- atom.