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Title: Materials Data on Al3BC by Materials Project

Abstract

Al3BC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent B and one C atom to form a mixture of distorted corner and edge-sharing AlB3C tetrahedra. All Al–B bond lengths are 2.20 Å. The Al–C bond length is 2.02 Å. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent C atoms. All Al–C bond lengths are 2.02 Å. B is bonded in a 6-coordinate geometry to six equivalent Al atoms. C is bonded to five Al atoms to form corner-sharing CAl5 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1228446
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Al3BC; Al-B-C
OSTI Identifier:
1745163
DOI:
https://doi.org/10.17188/1745163

Citation Formats

The Materials Project. Materials Data on Al3BC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745163.
The Materials Project. Materials Data on Al3BC by Materials Project. United States. doi:https://doi.org/10.17188/1745163
The Materials Project. 2020. "Materials Data on Al3BC by Materials Project". United States. doi:https://doi.org/10.17188/1745163. https://www.osti.gov/servlets/purl/1745163. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1745163,
title = {Materials Data on Al3BC by Materials Project},
author = {The Materials Project},
abstractNote = {Al3BC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent B and one C atom to form a mixture of distorted corner and edge-sharing AlB3C tetrahedra. All Al–B bond lengths are 2.20 Å. The Al–C bond length is 2.02 Å. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent C atoms. All Al–C bond lengths are 2.02 Å. B is bonded in a 6-coordinate geometry to six equivalent Al atoms. C is bonded to five Al atoms to form corner-sharing CAl5 trigonal bipyramids.},
doi = {10.17188/1745163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}