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Title: Materials Data on BN by Materials Project

Abstract

BN is Boron Nitride-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.45 Å) and one longer (1.47 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.

Publication Date:
Other Number(s):
mp-344
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; BN; B-N
OSTI Identifier:
1206782
DOI:
10.17188/1206782

Citation Formats

The Materials Project. Materials Data on BN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206782.
The Materials Project. Materials Data on BN by Materials Project. United States. doi:10.17188/1206782.
The Materials Project. 2020. "Materials Data on BN by Materials Project". United States. doi:10.17188/1206782. https://www.osti.gov/servlets/purl/1206782. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1206782,
title = {Materials Data on BN by Materials Project},
author = {The Materials Project},
abstractNote = {BN is Boron Nitride-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.45 Å) and one longer (1.47 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.},
doi = {10.17188/1206782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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