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:
- Publication Date:
- Other Number(s):
- mp-23045
- 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; BNCl2; B-Cl-N
- OSTI Identifier:
- 1184548
- DOI:
- https://doi.org/10.17188/1184548
Citation Formats
The Materials Project. Materials Data on BNCl2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1184548.
The Materials Project. Materials Data on BNCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1184548
The Materials Project. 2020.
"Materials Data on BNCl2 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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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