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DOE OSTI · 1272880

Materials Data on B4C by Materials Project

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Abstract

B4C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to two B and one C atom. Both B–B bond lengths are 1.71 Å. The B–C bond length is 1.64 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. There are two inequivalent C sites. In the first C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a linear geometry to two equivalent C atoms.

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36 MATERIALS SCIENCEB-CB4Ccrystal structure

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2020-07-20. Materials Data on B4C by Materials Project. https://doi.org/10.17188/1272880

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