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DOE OSTI · 1202821

Materials Data on CBr3F by Materials Project

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Abstract

CFBr3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tribromofluoromethane molecules. C4+ is bonded in a distorted tetrahedral geometry to three Br1- and one F1- atom. There is two shorter (1.95 Å) and one longer (1.96 Å) C–Br bond length. The C–F bond length is 1.36 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one C4+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.

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36 MATERIALS SCIENCEBr-C-FCBr3Fcrystal structure

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2020-07-24. Materials Data on CBr3F by Materials Project. https://doi.org/10.17188/1202821

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