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Title: Materials Data on TaNiB2 by Materials Project

Abstract

TaNiB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Ta–B bond distances ranging from 2.40–2.55 Å. Ni1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.17 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Ta5+, two equivalent Ni1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta5+, three equivalent Ni1+, and two equivalent B3- atoms.

Publication Date:
Other Number(s):
mp-22709
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; TaNiB2; B-Ni-Ta
OSTI Identifier:
1198913
DOI:
10.17188/1198913

Citation Formats

The Materials Project. Materials Data on TaNiB2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198913.
The Materials Project. Materials Data on TaNiB2 by Materials Project. United States. doi:10.17188/1198913.
The Materials Project. 2020. "Materials Data on TaNiB2 by Materials Project". United States. doi:10.17188/1198913. https://www.osti.gov/servlets/purl/1198913. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1198913,
title = {Materials Data on TaNiB2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaNiB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Ta–B bond distances ranging from 2.40–2.55 Å. Ni1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.17 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Ta5+, two equivalent Ni1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta5+, three equivalent Ni1+, and two equivalent B3- atoms.},
doi = {10.17188/1198913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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