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Title: Materials Data on B2(CN2)3 by Materials Project

Abstract

B2(CN2)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.41 Å) and two longer (1.47 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.41 Å) and two longer (1.47 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. Both C–N bond lengths are 1.23 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.21 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.more » In the third N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å. In the sixth N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1097791
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:
1739285
DOI:
https://doi.org/10.17188/1739285

Citation Formats

The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1739285.
The Materials Project. Materials Data on B2(CN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1739285
The Materials Project. 2018. "Materials Data on B2(CN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1739285. https://www.osti.gov/servlets/purl/1739285. Pub date:Sun May 20 00:00:00 EDT 2018
@article{osti_1739285,
title = {Materials Data on B2(CN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {B2(CN2)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two B2(CN2)3 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.41 Å) and two longer (1.47 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is one shorter (1.41 Å) and two longer (1.47 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. Both C–N bond lengths are 1.23 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.21 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å. In the sixth N3- site, N3- is bonded in a bent 120 degrees geometry to one B3+ and one C4+ atom. The N–C bond length is 1.23 Å.},
doi = {10.17188/1739285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {5}
}