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Title: Materials Data on B6As by Materials Project

Abstract

B6As is T-50 Boron-derived structured and 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 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.91 Å. In the second B site, B is bonded in a 6-coordinate geometry to five B and one As atom. Both B–B bond lengths are 1.73 Å. The B–As bond length is 2.01 Å. As is bonded in a distorted tetrahedral geometry to three equivalent B and one As atom. The As–As bond length is 2.41 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-624
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; B6As; As-B
OSTI Identifier:
1278229
DOI:
10.17188/1278229

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on B6As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278229.
Persson, Kristin, & Project, Materials. Materials Data on B6As by Materials Project. United States. doi:10.17188/1278229.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on B6As by Materials Project". United States. doi:10.17188/1278229. https://www.osti.gov/servlets/purl/1278229. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1278229,
title = {Materials Data on B6As by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {B6As is T-50 Boron-derived structured and 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 6-coordinate geometry to six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.91 Å. In the second B site, B is bonded in a 6-coordinate geometry to five B and one As atom. Both B–B bond lengths are 1.73 Å. The B–As bond length is 2.01 Å. As is bonded in a distorted tetrahedral geometry to three equivalent B and one As atom. The As–As bond length is 2.41 Å.},
doi = {10.17188/1278229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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