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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on H3CI by Materials Project

CH3I is Ammonia-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four iodomethane molecules. C2- is bonded in a trigonal non-coplanar geometry to three H1+ and one I1- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–I bond length is 2.16 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. I1- is bonded in a single-bond geometry to one C2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3CI by Materials Project

CH3I is Ammonia-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three iodomethane molecules. C2- is bonded in a trigonal non-coplanar geometry to three equivalent H1+ and one I1- atom. All C–H bond lengths are 1.09 Å. The C–I bond length is 2.15 Å. H1+ is bonded in a single-bond geometry to one C2- atom. I1- is bonded in a single-bond geometry to one C2- atom.

36 MATERIALS SCIENCE↗