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Title: Materials Data on HoTa3 by Materials Project

Abstract

HoTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.97 Å) and six longer (3.43 Å) Ho–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Ho and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.97 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Ho and eight equivalent Ta atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-973969
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; HoTa3; Ho-Ta
OSTI Identifier:
1314379
DOI:
10.17188/1314379

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HoTa3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1314379.
Persson, Kristin, & Project, Materials. Materials Data on HoTa3 by Materials Project. United States. doi:10.17188/1314379.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on HoTa3 by Materials Project". United States. doi:10.17188/1314379. https://www.osti.gov/servlets/purl/1314379. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1314379,
title = {Materials Data on HoTa3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HoTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.97 Å) and six longer (3.43 Å) Ho–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Ho and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.97 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Ho and eight equivalent Ta atoms.},
doi = {10.17188/1314379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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