U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on B2(CN2)3 by Materials Project
Abstract
B2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.39 Å) and two longer (1.52 Å) B–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.35 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-989459
- 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; B2(CN2)3; B-C-N
- OSTI Identifier:
- 1316801
- DOI:
- https://doi.org/10.17188/1316801
Citation Formats
The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316801.
The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1316801
The Materials Project. 2020.
"Materials Data on B2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1316801. https://www.osti.gov/servlets/purl/1316801. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316801,
title = {Materials Data on B2(CN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {B2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.39 Å) and two longer (1.52 Å) B–N bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.35 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.20 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to two equivalent B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1316801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}