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Title: Materials Data on Zr6Al16Ru7 by Materials Project

Abstract

Zr6Ru7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ru and eight Al atoms. All Zr–Ru bond lengths are 3.15 Å. There are four shorter (2.90 Å) and four longer (3.03 Å) Zr–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing RuZr4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr and four Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Ru atoms.

Authors:
Publication Date:
Other Number(s):
mp-866136
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; Zr6Al16Ru7; Al-Ru-Zr
OSTI Identifier:
1311388
DOI:
https://doi.org/10.17188/1311388

Citation Formats

The Materials Project. Materials Data on Zr6Al16Ru7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311388.
The Materials Project. Materials Data on Zr6Al16Ru7 by Materials Project. United States. doi:https://doi.org/10.17188/1311388
The Materials Project. 2020. "Materials Data on Zr6Al16Ru7 by Materials Project". United States. doi:https://doi.org/10.17188/1311388. https://www.osti.gov/servlets/purl/1311388. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1311388,
title = {Materials Data on Zr6Al16Ru7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Ru7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ru and eight Al atoms. All Zr–Ru bond lengths are 3.15 Å. There are four shorter (2.90 Å) and four longer (3.03 Å) Zr–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing RuZr4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr and four Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Ru atoms.},
doi = {10.17188/1311388},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}