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Title: Materials Data on B9C by Materials Project

Abstract

B9C crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of ten boron molecules, one tetraborylmethane molecule, and one B4C cluster. In the B4C cluster, there are four inequivalent B+0.33+ sites. In the first B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.85 Å. In the second B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.58 Å. In the third B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.52 Å. In the fourth B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.59 Å. C3- is bonded in a 4-coordinate geometry to four B+0.33+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-633538
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; B9C; B-C
OSTI Identifier:
1279372
DOI:
10.17188/1279372

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on B9C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279372.
Persson, Kristin, & Project, Materials. Materials Data on B9C by Materials Project. United States. doi:10.17188/1279372.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on B9C by Materials Project". United States. doi:10.17188/1279372. https://www.osti.gov/servlets/purl/1279372. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1279372,
title = {Materials Data on B9C by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {B9C crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of ten boron molecules, one tetraborylmethane molecule, and one B4C cluster. In the B4C cluster, there are four inequivalent B+0.33+ sites. In the first B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.85 Å. In the second B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.58 Å. In the third B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.52 Å. In the fourth B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.59 Å. C3- is bonded in a 4-coordinate geometry to four B+0.33+ atoms.},
doi = {10.17188/1279372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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