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Title: Materials Data on Zr6Al16Co7 by Materials Project

Abstract

Zr6Co7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Co and eight Al atoms. All Zr–Co bond lengths are 3.08 Å. There are four shorter (2.84 Å) and four longer (3.02 Å) Zr–Al bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing CoZr4Al8 cuboctahedra. There are four shorter (2.46 Å) and four longer (2.66 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Co–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr, three equivalent Co, and three equivalent Al atoms. All Al–Al bond lengths are 2.72 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr, four Co, and six Al atoms. All Al–Al bond lengths are 2.85 Å.

Authors:
Publication Date:
Other Number(s):
mp-1194423
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; Zr6Al16Co7; Al-Co-Zr
OSTI Identifier:
1683721
DOI:
https://doi.org/10.17188/1683721

Citation Formats

The Materials Project. Materials Data on Zr6Al16Co7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683721.
The Materials Project. Materials Data on Zr6Al16Co7 by Materials Project. United States. doi:https://doi.org/10.17188/1683721
The Materials Project. 2019. "Materials Data on Zr6Al16Co7 by Materials Project". United States. doi:https://doi.org/10.17188/1683721. https://www.osti.gov/servlets/purl/1683721. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1683721,
title = {Materials Data on Zr6Al16Co7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Co7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Co and eight Al atoms. All Zr–Co bond lengths are 3.08 Å. There are four shorter (2.84 Å) and four longer (3.02 Å) Zr–Al bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing CoZr4Al8 cuboctahedra. There are four shorter (2.46 Å) and four longer (2.66 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Co–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr, three equivalent Co, and three equivalent Al atoms. All Al–Al bond lengths are 2.72 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr, four Co, and six Al atoms. All Al–Al bond lengths are 2.85 Å.},
doi = {10.17188/1683721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}