Materials Data on CCl2O by Materials Project
COCl2 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of sixteen phosgene molecules. C4+ is bonded in a trigonal planar geometry to one O2- and two Cl1- atoms. The C–O bond length is 1.20 Å. There is one shorter (1.73 Å) and one longer (1.75 Å) C–Cl bond length. O2- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.
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