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

Title: Materials Data on NiBiB by Materials Project

Abstract

NiBBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni2+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Bi1+ atoms. All Ni–B bond lengths are 2.52 Å. All Ni–Bi bond lengths are 2.52 Å. B3- is bonded to four equivalent Ni2+ and six equivalent Bi1+ atoms to form a mixture of distorted corner and face-sharing BNi4Bi6 tetrahedra. All B–Bi bond lengths are 2.91 Å. Bi1+ is bonded in a 10-coordinate geometry to four equivalent Ni2+ and six equivalent B3- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631538
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; NiBiB; B-Bi-Ni
OSTI Identifier:
1279227
DOI:
10.17188/1279227

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NiBiB by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279227.
Persson, Kristin, & Project, Materials. Materials Data on NiBiB by Materials Project. United States. doi:10.17188/1279227.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NiBiB by Materials Project". United States. doi:10.17188/1279227. https://www.osti.gov/servlets/purl/1279227. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279227,
title = {Materials Data on NiBiB by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NiBBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ni2+ is bonded in a body-centered cubic geometry to four equivalent B3- and four equivalent Bi1+ atoms. All Ni–B bond lengths are 2.52 Å. All Ni–Bi bond lengths are 2.52 Å. B3- is bonded to four equivalent Ni2+ and six equivalent Bi1+ atoms to form a mixture of distorted corner and face-sharing BNi4Bi6 tetrahedra. All B–Bi bond lengths are 2.91 Å. Bi1+ is bonded in a 10-coordinate geometry to four equivalent Ni2+ and six equivalent B3- atoms.},
doi = {10.17188/1279227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: