Materials Data on C3NClO by Materials Project
C3NOCl is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four C3NOCl clusters. there are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.19 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.41 Å. N3- is bonded in a 4-coordinate geometry to two equivalent C2+, one O2-, and one Cl1- atom. The N–O bond length is 3.17 Å. The N–Cl bond length is 1.94 Å. O2- is bonded in a single-bond geometry to one C2+ and one N3- atom. Cl1- is bonded in a single-bond geometry to one N3- atom.
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