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Title: Materials Data on B4C by Materials Project

Abstract

B4C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to two B and one C atom. Both B–B bond lengths are 1.71 Å. The B–C bond length is 1.64 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. There are two inequivalent C sites. In the first C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a linear geometry to two equivalent C atoms.

Publication Date:
Other Number(s):
mp-571655
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; B4C; B-C
OSTI Identifier:
1272880
DOI:
10.17188/1272880

Citation Formats

The Materials Project. Materials Data on B4C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272880.
The Materials Project. Materials Data on B4C by Materials Project. United States. doi:10.17188/1272880.
The Materials Project. 2020. "Materials Data on B4C by Materials Project". United States. doi:10.17188/1272880. https://www.osti.gov/servlets/purl/1272880. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1272880,
title = {Materials Data on B4C by Materials Project},
author = {The Materials Project},
abstractNote = {B4C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to two B and one C atom. Both B–B bond lengths are 1.71 Å. The B–C bond length is 1.64 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. There are two inequivalent C sites. In the first C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a linear geometry to two equivalent C atoms.},
doi = {10.17188/1272880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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