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DOE OSTI · 1688090

Materials Data on CN3Cl by Materials Project

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Abstract

CN3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CN3Cl clusters. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There are a spread of C–N bond distances ranging from 1.28–1.47 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.24 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the third N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one N1- atom.

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36 MATERIALS SCIENCEC-Cl-NCN3Clcrystal structure

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2020-05-03. Materials Data on CN3Cl by Materials Project. https://doi.org/10.17188/1688090

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