Materials Data on C2O3F2 by Materials Project

Abstract

C2O3F2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight dicarbonic difluoride molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.37 Å) C–O bond length. The C–F bond length is 1.34 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.37 Å) C–O bond length. The C–F bond length is 1.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two C4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.