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Title: Materials Data on Ti6Al16Ru7 by Materials Project

Abstract

Ti6Ru7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru and eight Al atoms. All Ti–Ru bond lengths are 3.09 Å. There are four shorter (2.78 Å) and four longer (2.95 Å) Ti–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.49 Å) and four longer (2.67 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 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Ru atoms. In the second Al site, Al is bonded to three equivalent Ti and four Ru atoms to form a mixture of distorted corner, edge, and face-sharing AlTi3Ru4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1193118
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; Ti6Al16Ru7; Al-Ru-Ti
OSTI Identifier:
1751484
DOI:
https://doi.org/10.17188/1751484

Citation Formats

The Materials Project. Materials Data on Ti6Al16Ru7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751484.
The Materials Project. Materials Data on Ti6Al16Ru7 by Materials Project. United States. doi:https://doi.org/10.17188/1751484
The Materials Project. 2020. "Materials Data on Ti6Al16Ru7 by Materials Project". United States. doi:https://doi.org/10.17188/1751484. https://www.osti.gov/servlets/purl/1751484. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751484,
title = {Materials Data on Ti6Al16Ru7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti6Ru7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ru and eight Al atoms. All Ti–Ru bond lengths are 3.09 Å. There are four shorter (2.78 Å) and four longer (2.95 Å) Ti–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.49 Å) and four longer (2.67 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 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Ru atoms. In the second Al site, Al is bonded to three equivalent Ti and four Ru atoms to form a mixture of distorted corner, edge, and face-sharing AlTi3Ru4 tetrahedra.},
doi = {10.17188/1751484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}