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Title: Materials Data on B13N2 by Materials Project

Abstract

B13N2 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron, metallic molecules and three B7N2 clusters. In each B7N2 cluster, there are two inequivalent B+0.23+ sites. In the first B+0.23+ site, B+0.23+ is bonded in a single-bond geometry to one N+1.50- atom. The B–N bond length is 1.57 Å. In the second B+0.23+ site, B+0.23+ is bonded in a linear geometry to two equivalent N+1.50- atoms. Both B–N bond lengths are 1.43 Å. N+1.50- is bonded to four B+0.23+ atoms to form corner-sharing NB4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-534
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; B13N2; B-N
OSTI Identifier:
1263490
DOI:
https://doi.org/10.17188/1263490

Citation Formats

The Materials Project. Materials Data on B13N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263490.
The Materials Project. Materials Data on B13N2 by Materials Project. United States. doi:https://doi.org/10.17188/1263490
The Materials Project. 2020. "Materials Data on B13N2 by Materials Project". United States. doi:https://doi.org/10.17188/1263490. https://www.osti.gov/servlets/purl/1263490. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263490,
title = {Materials Data on B13N2 by Materials Project},
author = {The Materials Project},
abstractNote = {B13N2 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron, metallic molecules and three B7N2 clusters. In each B7N2 cluster, there are two inequivalent B+0.23+ sites. In the first B+0.23+ site, B+0.23+ is bonded in a single-bond geometry to one N+1.50- atom. The B–N bond length is 1.57 Å. In the second B+0.23+ site, B+0.23+ is bonded in a linear geometry to two equivalent N+1.50- atoms. Both B–N bond lengths are 1.43 Å. N+1.50- is bonded to four B+0.23+ atoms to form corner-sharing NB4 tetrahedra.},
doi = {10.17188/1263490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}