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Title: Materials Data on BN by Materials Project

Abstract

BN crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.43 Å) and one longer (1.54 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.48 Å) B–N bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.52 Å) B–N bond length. In the fourth B3+ site, B3+ is bonded to four N3- atoms to form corner-sharing BN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.53–1.57 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to four B3+ atoms to form corner-sharing NB4 tetrahedra. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the fourthmore » N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.« less

Publication Date:
Other Number(s):
mp-1599
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:
1191501
DOI:
10.17188/1191501

Citation Formats

The Materials Project. Materials Data on BN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191501.
The Materials Project. Materials Data on BN by Materials Project. United States. doi:10.17188/1191501.
The Materials Project. 2020. "Materials Data on BN by Materials Project". United States. doi:10.17188/1191501. https://www.osti.gov/servlets/purl/1191501. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1191501,
title = {Materials Data on BN by Materials Project},
author = {The Materials Project},
abstractNote = {BN crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.43 Å) and one longer (1.54 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.48 Å) B–N bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.52 Å) B–N bond length. In the fourth B3+ site, B3+ is bonded to four N3- atoms to form corner-sharing BN4 tetrahedra. There are a spread of B–N bond distances ranging from 1.53–1.57 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to four B3+ atoms to form corner-sharing NB4 tetrahedra. In the second N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to three B3+ atoms.},
doi = {10.17188/1191501},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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