Materials Data on H3CCl by Materials Project
CH3Cl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four chloromethane molecules. C2- is bonded in a tetrahedral geometry to three H1+ and one Cl1- atom. All C–H bond lengths are 1.10 Å. The C–Cl bond length is 1.79 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. Cl1- is bonded in a single-bond geometry to one C2- atom.
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