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Title: Materials Data on B5W2 by Materials Project

Abstract

W2B5 is Tungsten boride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W+4.50+ is bonded in a 10-coordinate geometry to thirteen B+1.80- atoms. There are a spread of W–B bond distances ranging from 2.31–2.63 Å. There are four inequivalent B+1.80- sites. In the first B+1.80- site, B+1.80- is bonded in a 10-coordinate geometry to four equivalent W+4.50+ and six B+1.80- atoms. There is three shorter (1.83 Å) and three longer (1.95 Å) B–B bond length. In the second B+1.80- site, B+1.80- is bonded to six equivalent W+4.50+ and six equivalent B+1.80- atoms to form distorted face-sharing BB6W6 cuboctahedra. In the third B+1.80- site, B+1.80- is bonded in a 9-coordinate geometry to six equivalent W+4.50+ and three equivalent B+1.80- atoms. All B–B bond lengths are 1.79 Å. In the fourth B+1.80- site, B+1.80- is bonded in a 9-coordinate geometry to six equivalent W+4.50+ and three equivalent B+1.80- atoms.

Authors:
Publication Date:
Other Number(s):
mp-570938
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; B5W2; B-W
OSTI Identifier:
1276009
DOI:
https://doi.org/10.17188/1276009

Citation Formats

The Materials Project. Materials Data on B5W2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276009.
The Materials Project. Materials Data on B5W2 by Materials Project. United States. doi:https://doi.org/10.17188/1276009
The Materials Project. 2020. "Materials Data on B5W2 by Materials Project". United States. doi:https://doi.org/10.17188/1276009. https://www.osti.gov/servlets/purl/1276009. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276009,
title = {Materials Data on B5W2 by Materials Project},
author = {The Materials Project},
abstractNote = {W2B5 is Tungsten boride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W+4.50+ is bonded in a 10-coordinate geometry to thirteen B+1.80- atoms. There are a spread of W–B bond distances ranging from 2.31–2.63 Å. There are four inequivalent B+1.80- sites. In the first B+1.80- site, B+1.80- is bonded in a 10-coordinate geometry to four equivalent W+4.50+ and six B+1.80- atoms. There is three shorter (1.83 Å) and three longer (1.95 Å) B–B bond length. In the second B+1.80- site, B+1.80- is bonded to six equivalent W+4.50+ and six equivalent B+1.80- atoms to form distorted face-sharing BB6W6 cuboctahedra. In the third B+1.80- site, B+1.80- is bonded in a 9-coordinate geometry to six equivalent W+4.50+ and three equivalent B+1.80- atoms. All B–B bond lengths are 1.79 Å. In the fourth B+1.80- site, B+1.80- is bonded in a 9-coordinate geometry to six equivalent W+4.50+ and three equivalent B+1.80- atoms.},
doi = {10.17188/1276009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}