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DOE OSTI · 1754763

Materials Data on C by Materials Project

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Abstract

C is Theoretical Carbon Structure-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent C sites. In the first C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.55–1.57 Å. In the second C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. There are a spread of C–C bond distances ranging from 1.51–1.60 Å. In the third C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. In the fourth C site, C is bonded to four C atoms to form corner-sharing CC4 tetrahedra. Both C–C bond lengths are 1.54 Å.

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36 MATERIALS SCIENCECcrystal structure

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2020-05-03. Materials Data on C by Materials Project. https://doi.org/10.17188/1754763

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