Materials Data on C3O2 by Materials Project

Abstract

C3O2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydroxypropinol molecules. there are three inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one C+1.33+ and one O2- atom. The C–C bond length is 1.28 Å. The C–O bond length is 1.18 Å. In the second C+1.33+ site, C+1.33+ is bonded in a single-bond geometry to one C+1.33+ and one O2- atom. The C–C bond length is 1.28 Å. The C–O bond length is 1.18 Å. In the third C+1.33+ site, C+1.33+ is bonded in a linear geometry to two C+1.33+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.33+ atom.