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Title: Materials Data on Zr2Al3Co by Materials Project

Abstract

Zr2CoAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, three equivalent Co, and nine equivalent Al atoms. There are three shorter (3.19 Å) and one longer (3.20 Å) Zr–Zr bond lengths. All Zr–Co bond lengths are 3.08 Å. There are three shorter (2.98 Å) and six longer (3.08 Å) Zr–Al bond lengths. Co is bonded to six equivalent Zr and six equivalent Al atoms to form CoZr6Al6 cuboctahedra that share corners with six equivalent CoZr6Al6 cuboctahedra, corners with twelve equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent CoZr6Al6 cuboctahedra, and faces with eighteen equivalent AlZr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.57 Å. Al is bonded to six equivalent Zr, two equivalent Co, and four equivalent Al atoms to form AlZr6Al4Co2 cuboctahedra that share corners with four equivalent CoZr6Al6 cuboctahedra, corners with fourteen equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent AlZr6Al4Co2 cuboctahedra, faces with six equivalent CoZr6Al6 cuboctahedra, and faces with twelve equivalent AlZr6Al4Co2 cuboctahedra. All Al–Al bond lengths are 2.63 Å.

Authors:
Publication Date:
Other Number(s):
mp-1215510
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; Zr2Al3Co; Al-Co-Zr
OSTI Identifier:
1716966
DOI:
https://doi.org/10.17188/1716966

Citation Formats

The Materials Project. Materials Data on Zr2Al3Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716966.
The Materials Project. Materials Data on Zr2Al3Co by Materials Project. United States. doi:https://doi.org/10.17188/1716966
The Materials Project. 2020. "Materials Data on Zr2Al3Co by Materials Project". United States. doi:https://doi.org/10.17188/1716966. https://www.osti.gov/servlets/purl/1716966. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1716966,
title = {Materials Data on Zr2Al3Co by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2CoAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, three equivalent Co, and nine equivalent Al atoms. There are three shorter (3.19 Å) and one longer (3.20 Å) Zr–Zr bond lengths. All Zr–Co bond lengths are 3.08 Å. There are three shorter (2.98 Å) and six longer (3.08 Å) Zr–Al bond lengths. Co is bonded to six equivalent Zr and six equivalent Al atoms to form CoZr6Al6 cuboctahedra that share corners with six equivalent CoZr6Al6 cuboctahedra, corners with twelve equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent CoZr6Al6 cuboctahedra, and faces with eighteen equivalent AlZr6Al4Co2 cuboctahedra. All Co–Al bond lengths are 2.57 Å. Al is bonded to six equivalent Zr, two equivalent Co, and four equivalent Al atoms to form AlZr6Al4Co2 cuboctahedra that share corners with four equivalent CoZr6Al6 cuboctahedra, corners with fourteen equivalent AlZr6Al4Co2 cuboctahedra, edges with six equivalent AlZr6Al4Co2 cuboctahedra, faces with six equivalent CoZr6Al6 cuboctahedra, and faces with twelve equivalent AlZr6Al4Co2 cuboctahedra. All Al–Al bond lengths are 2.63 Å.},
doi = {10.17188/1716966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}