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Title: Materials Data on B4W by Materials Project

Abstract

WB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing WB12 cuboctahedra. All W–B bond lengths are 2.43 Å. In the second W6+ site, W6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.39 Å) and twelve longer (2.40 Å) W–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one W6+ and seven B+1.50- atoms. There is one shorter (1.70 Å) and six longer (1.94 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four W6+ and five B+1.50- atoms. There is one shorter (1.75 Å) and two longer (1.81 Å) B–B bond length.

Publication Date:
Other Number(s):
mp-29651
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; B4W; B-W
OSTI Identifier:
1204136
DOI:
https://doi.org/10.17188/1204136

Citation Formats

The Materials Project. Materials Data on B4W by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204136.
The Materials Project. Materials Data on B4W by Materials Project. United States. doi:https://doi.org/10.17188/1204136
The Materials Project. 2017. "Materials Data on B4W by Materials Project". United States. doi:https://doi.org/10.17188/1204136. https://www.osti.gov/servlets/purl/1204136. Pub date:Wed Jun 07 00:00:00 EDT 2017
@article{osti_1204136,
title = {Materials Data on B4W by Materials Project},
author = {The Materials Project},
abstractNote = {WB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing WB12 cuboctahedra. All W–B bond lengths are 2.43 Å. In the second W6+ site, W6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.39 Å) and twelve longer (2.40 Å) W–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one W6+ and seven B+1.50- atoms. There is one shorter (1.70 Å) and six longer (1.94 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four W6+ and five B+1.50- atoms. There is one shorter (1.75 Å) and two longer (1.81 Å) B–B bond length.},
doi = {10.17188/1204136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {6}
}