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Title: Materials Data on TaCoB2 by Materials Project

Abstract

TaCoB2 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 2.42–2.55 Å. Co1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Co–B bond distances ranging from 2.00–2.12 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta5+, three equivalent Co1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Ta5+, two equivalent Co1+, and two equivalent B3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1189690
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; TaCoB2; B-Co-Ta
OSTI Identifier:
1652600
DOI:
https://doi.org/10.17188/1652600

Citation Formats

The Materials Project. Materials Data on TaCoB2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652600.
The Materials Project. Materials Data on TaCoB2 by Materials Project. United States. doi:https://doi.org/10.17188/1652600
The Materials Project. 2019. "Materials Data on TaCoB2 by Materials Project". United States. doi:https://doi.org/10.17188/1652600. https://www.osti.gov/servlets/purl/1652600. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1652600,
title = {Materials Data on TaCoB2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaCoB2 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 2.42–2.55 Å. Co1+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Co–B bond distances ranging from 2.00–2.12 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta5+, three equivalent Co1+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to five equivalent Ta5+, two equivalent Co1+, and two equivalent B3- atoms.},
doi = {10.17188/1652600},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}