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Title: Materials Data on Ta3Ru2 by Materials Project

Abstract

Ta3Ru2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to four equivalent Ta and four equivalent Ru atoms. All Ta–Ta bond lengths are 2.81 Å. All Ta–Ru bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a body-centered cubic geometry to eight Ru atoms. There are four shorter (2.74 Å) and four longer (2.75 Å) Ta–Ru bond lengths. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.77 Å. In the fourth Ta site, Ta is bonded in a 8-coordinate geometry to twelve Ta and two equivalent Ru atoms. All Ta–Ta bond lengths are 3.22 Å. Both Ta–Ru bond lengths are 3.31 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to nine Ta atoms. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Ta atoms.

Authors:
Publication Date:
Other Number(s):
mp-1218044
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; Ta3Ru2; Ru-Ta
OSTI Identifier:
1758509
DOI:
https://doi.org/10.17188/1758509

Citation Formats

The Materials Project. Materials Data on Ta3Ru2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758509.
The Materials Project. Materials Data on Ta3Ru2 by Materials Project. United States. doi:https://doi.org/10.17188/1758509
The Materials Project. 2020. "Materials Data on Ta3Ru2 by Materials Project". United States. doi:https://doi.org/10.17188/1758509. https://www.osti.gov/servlets/purl/1758509. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758509,
title = {Materials Data on Ta3Ru2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3Ru2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to four equivalent Ta and four equivalent Ru atoms. All Ta–Ta bond lengths are 2.81 Å. All Ta–Ru bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a body-centered cubic geometry to eight Ru atoms. There are four shorter (2.74 Å) and four longer (2.75 Å) Ta–Ru bond lengths. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.77 Å. In the fourth Ta site, Ta is bonded in a 8-coordinate geometry to twelve Ta and two equivalent Ru atoms. All Ta–Ta bond lengths are 3.22 Å. Both Ta–Ru bond lengths are 3.31 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to nine Ta atoms. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight Ta atoms.},
doi = {10.17188/1758509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}