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Title: Materials Data on Ta3Re by Materials Project

Abstract

Ta3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Re4 tetrahedra. All Ta–Ta bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ta–Re bond lengths are 3.25 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.

Publication Date:
Other Number(s):
mp-1187203
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; Ta3Re; Re-Ta
OSTI Identifier:
1685391
DOI:
https://doi.org/10.17188/1685391

Citation Formats

The Materials Project. Materials Data on Ta3Re by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685391.
The Materials Project. Materials Data on Ta3Re by Materials Project. United States. doi:https://doi.org/10.17188/1685391
The Materials Project. 2020. "Materials Data on Ta3Re by Materials Project". United States. doi:https://doi.org/10.17188/1685391. https://www.osti.gov/servlets/purl/1685391. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685391,
title = {Materials Data on Ta3Re by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Re4 tetrahedra. All Ta–Ta bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ta–Re bond lengths are 3.25 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.},
doi = {10.17188/1685391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}