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Title: Materials Data on BC5 by Materials Project

Abstract

BC5 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. B3+ is bonded to four equivalent C+0.60- atoms to form BC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra. All B–C bond lengths are 1.65 Å. There are three inequivalent C+0.60- sites. In the first C+0.60- site, C+0.60- is bonded to two equivalent B3+ and two equivalent C+0.60- atoms to form corner-sharing CB2C2 tetrahedra. Both C–C bond lengths are 1.53 Å. In the second C+0.60- site, C+0.60- is bonded to four equivalent C+0.60- atoms to form corner-sharing CC4 tetrahedra. All C–C bond lengths are 1.56 Å. In the third C+0.60- site, C+0.60- is bonded to four C+0.60- atoms to form CC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1077125
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BC5; B-C
OSTI Identifier:
1758277
DOI:
https://doi.org/10.17188/1758277

Citation Formats

The Materials Project. Materials Data on BC5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758277.
The Materials Project. Materials Data on BC5 by Materials Project. United States. doi:https://doi.org/10.17188/1758277
The Materials Project. 2020. "Materials Data on BC5 by Materials Project". United States. doi:https://doi.org/10.17188/1758277. https://www.osti.gov/servlets/purl/1758277. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758277,
title = {Materials Data on BC5 by Materials Project},
author = {The Materials Project},
abstractNote = {BC5 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. B3+ is bonded to four equivalent C+0.60- atoms to form BC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra. All B–C bond lengths are 1.65 Å. There are three inequivalent C+0.60- sites. In the first C+0.60- site, C+0.60- is bonded to two equivalent B3+ and two equivalent C+0.60- atoms to form corner-sharing CB2C2 tetrahedra. Both C–C bond lengths are 1.53 Å. In the second C+0.60- site, C+0.60- is bonded to four equivalent C+0.60- atoms to form corner-sharing CC4 tetrahedra. All C–C bond lengths are 1.56 Å. In the third C+0.60- site, C+0.60- is bonded to four C+0.60- atoms to form CC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra.},
doi = {10.17188/1758277},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}