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Title: Materials Data on BNCl2 by Materials Project

Abstract

BNCl2 is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three 1,2,3,4,5,6-hexachloro-1,3,5,2,4,6-triazatriborinane molecules. B3+ is bonded in a trigonal planar geometry to two equivalent N1- and one Cl1- atom. Both B–N bond lengths are 1.45 Å. The B–Cl bond length is 1.75 Å. N1- is bonded in a distorted trigonal planar geometry to two equivalent B3+ and one Cl1- atom. The N–Cl bond length is 1.71 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N1- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-23045
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; BNCl2; B-Cl-N
OSTI Identifier:
1184548
DOI:
10.17188/1184548

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BNCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1184548.
Persson, Kristin, & Project, Materials. Materials Data on BNCl2 by Materials Project. United States. doi:10.17188/1184548.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BNCl2 by Materials Project". United States. doi:10.17188/1184548. https://www.osti.gov/servlets/purl/1184548. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1184548,
title = {Materials Data on BNCl2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BNCl2 is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three 1,2,3,4,5,6-hexachloro-1,3,5,2,4,6-triazatriborinane molecules. B3+ is bonded in a trigonal planar geometry to two equivalent N1- and one Cl1- atom. Both B–N bond lengths are 1.45 Å. The B–Cl bond length is 1.75 Å. N1- is bonded in a distorted trigonal planar geometry to two equivalent B3+ and one Cl1- atom. The N–Cl bond length is 1.71 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N1- atom.},
doi = {10.17188/1184548},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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