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Title: Materials Data on B13C2 by Materials Project

Abstract

B13C2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent B sites. In the first B site, B is bonded in a linear geometry to two equivalent C atoms. Both B–C bond lengths are 1.44 Å. In the second B site, B is bonded in a single-bond geometry to three equivalent B and one C atom. There is one shorter (1.79 Å) and two longer (1.82 Å) B–B bond length. The B–C bond length is 1.61 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. C is bonded to four B atoms to form corner-sharing CB4 trigonal pyramids.

Publication Date:
Other Number(s):
mp-576
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; B13C2; B-C
OSTI Identifier:
1276602
DOI:
10.17188/1276602

Citation Formats

The Materials Project. Materials Data on B13C2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276602.
The Materials Project. Materials Data on B13C2 by Materials Project. United States. doi:10.17188/1276602.
The Materials Project. 2020. "Materials Data on B13C2 by Materials Project". United States. doi:10.17188/1276602. https://www.osti.gov/servlets/purl/1276602. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276602,
title = {Materials Data on B13C2 by Materials Project},
author = {The Materials Project},
abstractNote = {B13C2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent B sites. In the first B site, B is bonded in a linear geometry to two equivalent C atoms. Both B–C bond lengths are 1.44 Å. In the second B site, B is bonded in a single-bond geometry to three equivalent B and one C atom. There is one shorter (1.79 Å) and two longer (1.82 Å) B–B bond length. The B–C bond length is 1.61 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. C is bonded to four B atoms to form corner-sharing CB4 trigonal pyramids.},
doi = {10.17188/1276602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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