DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ni(BW)3 by Materials Project

Abstract

Ni(WB)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent W+2.33+ sites. In the first W+2.33+ site, W+2.33+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of W–B bond distances ranging from 2.31–2.54 Å. In the second W+2.33+ site, W+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.36–2.48 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.10 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six W+2.33+, two equivalent Ni2+, and one B3- atom. The B–B bond length is 1.87 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven W+2.33+ and two equivalent B3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1104181
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; Ni(BW)3; B-Ni-W
OSTI Identifier:
1685212
DOI:
https://doi.org/10.17188/1685212

Citation Formats

The Materials Project. Materials Data on Ni(BW)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685212.
The Materials Project. Materials Data on Ni(BW)3 by Materials Project. United States. doi:https://doi.org/10.17188/1685212
The Materials Project. 2020. "Materials Data on Ni(BW)3 by Materials Project". United States. doi:https://doi.org/10.17188/1685212. https://www.osti.gov/servlets/purl/1685212. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1685212,
title = {Materials Data on Ni(BW)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(WB)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent W+2.33+ sites. In the first W+2.33+ site, W+2.33+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of W–B bond distances ranging from 2.31–2.54 Å. In the second W+2.33+ site, W+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.36–2.48 Å. Ni2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ni–B bond lengths are 2.10 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six W+2.33+, two equivalent Ni2+, and one B3- atom. The B–B bond length is 1.87 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven W+2.33+ and two equivalent B3- atoms.},
doi = {10.17188/1685212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}