DOE OSTI · 1307907
Materials Data on B4C by Materials Project
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 single-bond geometry to two equivalent B and one C atom. There is one shorter (1.57 Å) and one longer (1.90 Å) B–B bond length. The B–C bond length is 1.61 Å. In the second B site, B is bonded in a 4-coordinate geometry to four B atoms. Both B–B bond lengths are 1.65 Å. There are two inequivalent C sites. In the first C site, C is bonded in a linear geometry to two equivalent C atoms. Both C–C bond lengths are 1.38 Å. In the second C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra.
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2020-07-22. Materials Data on B4C by Materials Project. https://doi.org/10.17188/1307907
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