Title: Materials Data on ZrTiCo4 by Materials Project

Abstract

ZrTiCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Co atoms. All Zr–Ti bond lengths are 2.94 Å. All Zr–Co bond lengths are 2.81 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ti–Co bond lengths are 2.81 Å. Co is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoZr3Ti3Co6 cuboctahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Co–Co bond lengths.

Publication Date:
Other Number(s):
mp-1215186
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Co-Ti-Zr; crystal structure; ZrTiCo4
OSTI Identifier:
1744288
DOI:
https://doi.org/10.17188/1744288

Citation Formats

Materials Data on ZrTiCo4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744288.
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Materials Data on ZrTiCo4 by Materials Project. United States. doi:https://doi.org/10.17188/1744288
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2020. "Materials Data on ZrTiCo4 by Materials Project". United States. doi:https://doi.org/10.17188/1744288. https://www.osti.gov/servlets/purl/1744288. Pub date:Fri May 01 20:00:00 EDT 2020
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@article{osti_1744288,
title = {Materials Data on ZrTiCo4 by Materials Project},
abstractNote = {ZrTiCo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Co atoms. All Zr–Ti bond lengths are 2.94 Å. All Zr–Co bond lengths are 2.81 Å. Ti is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Co atoms. All Ti–Co bond lengths are 2.81 Å. Co is bonded to three equivalent Zr, three equivalent Ti, and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoZr3Ti3Co6 cuboctahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Co–Co bond lengths.},
doi = {10.17188/1744288},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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DOI: https://doi.org/10.17188/1744288
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