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DOE OSTI · 1711586

Materials Data on CI by Materials Project

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Abstract

CI1 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of eight diiodoacetylene molecules. there are two inequivalent C sites. In the first C site, C is bonded in a linear geometry to one C and one I atom. The C–C bond length is 1.23 Å. The C–I bond length is 1.99 Å. In the second C site, C is bonded in a linear geometry to one C and one I atom. The C–I bond length is 1.99 Å. There are two inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one C atom. In the second I site, I is bonded in a single-bond geometry to one C atom.

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36 MATERIALS SCIENCEC-ICIcrystal structure

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2020-05-02. Materials Data on CI by Materials Project. https://doi.org/10.17188/1711586

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