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Title: Materials Data on AlCo2Ni by Materials Project

Abstract

Co2NiAl is beta Cu3Ti-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to four equivalent Co, four equivalent Ni, and four equivalent Al atoms to form CoAl4Co4Ni4 cuboctahedra that share corners with twelve equivalent CoAl4Co4Ni4 cuboctahedra, edges with eight equivalent CoAl4Co4Ni4 cuboctahedra, edges with eight equivalent NiAl4Co8 cuboctahedra, edges with eight equivalent AlCo8Ni4 cuboctahedra, faces with four equivalent NiAl4Co8 cuboctahedra, faces with four equivalent AlCo8Ni4 cuboctahedra, and faces with ten equivalent CoAl4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.52 Å. All Co–Ni bond lengths are 2.52 Å. All Co–Al bond lengths are 2.52 Å. Ni is bonded to eight equivalent Co and four equivalent Al atoms to form NiAl4Co8 cuboctahedra that share corners with four equivalent NiAl4Co8 cuboctahedra, corners with eight equivalent AlCo8Ni4 cuboctahedra, edges with eight equivalent NiAl4Co8 cuboctahedra, edges with sixteen equivalent CoAl4Co4Ni4 cuboctahedra, faces with four equivalent NiAl4Co8 cuboctahedra, faces with six equivalent AlCo8Ni4 cuboctahedra, and faces with eight equivalent CoAl4Co4Ni4 cuboctahedra. All Ni–Al bond lengths are 2.52 Å. Al is bonded to eight equivalent Co and four equivalent Ni atoms to form AlCo8Ni4 cuboctahedra that share corners with four equivalent AlCo8Ni4 cuboctahedra, corners with eight equivalent NiAl4Co8 cuboctahedra,more » edges with eight equivalent AlCo8Ni4 cuboctahedra, edges with sixteen equivalent CoAl4Co4Ni4 cuboctahedra, faces with four equivalent AlCo8Ni4 cuboctahedra, faces with six equivalent NiAl4Co8 cuboctahedra, and faces with eight equivalent CoAl4Co4Ni4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1214822
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; Al-Co-Ni; AlCo2Ni; crystal structure
OSTI Identifier:
1699874
DOI:
https://doi.org/10.17188/1699874

Citation Formats

Materials Data on AlCo2Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699874.
Materials Data on AlCo2Ni by Materials Project. United States. doi:https://doi.org/10.17188/1699874
2020. "Materials Data on AlCo2Ni by Materials Project". United States. doi:https://doi.org/10.17188/1699874. https://www.osti.gov/servlets/purl/1699874. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1699874,
title = {Materials Data on AlCo2Ni by Materials Project},
abstractNote = {Co2NiAl is beta Cu3Ti-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to four equivalent Co, four equivalent Ni, and four equivalent Al atoms to form CoAl4Co4Ni4 cuboctahedra that share corners with twelve equivalent CoAl4Co4Ni4 cuboctahedra, edges with eight equivalent CoAl4Co4Ni4 cuboctahedra, edges with eight equivalent NiAl4Co8 cuboctahedra, edges with eight equivalent AlCo8Ni4 cuboctahedra, faces with four equivalent NiAl4Co8 cuboctahedra, faces with four equivalent AlCo8Ni4 cuboctahedra, and faces with ten equivalent CoAl4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.52 Å. All Co–Ni bond lengths are 2.52 Å. All Co–Al bond lengths are 2.52 Å. Ni is bonded to eight equivalent Co and four equivalent Al atoms to form NiAl4Co8 cuboctahedra that share corners with four equivalent NiAl4Co8 cuboctahedra, corners with eight equivalent AlCo8Ni4 cuboctahedra, edges with eight equivalent NiAl4Co8 cuboctahedra, edges with sixteen equivalent CoAl4Co4Ni4 cuboctahedra, faces with four equivalent NiAl4Co8 cuboctahedra, faces with six equivalent AlCo8Ni4 cuboctahedra, and faces with eight equivalent CoAl4Co4Ni4 cuboctahedra. All Ni–Al bond lengths are 2.52 Å. Al is bonded to eight equivalent Co and four equivalent Ni atoms to form AlCo8Ni4 cuboctahedra that share corners with four equivalent AlCo8Ni4 cuboctahedra, corners with eight equivalent NiAl4Co8 cuboctahedra, edges with eight equivalent AlCo8Ni4 cuboctahedra, edges with sixteen equivalent CoAl4Co4Ni4 cuboctahedra, faces with four equivalent AlCo8Ni4 cuboctahedra, faces with six equivalent NiAl4Co8 cuboctahedra, and faces with eight equivalent CoAl4Co4Ni4 cuboctahedra.},
doi = {10.17188/1699874},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}