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Title: Materials Data on Al9Co2Ni by Materials Project

Abstract

Co2NiAl9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.52 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.61 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.50–2.63 Å. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.63 Å. There are ten inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three Co and three Al atoms. There are one shorter (2.50 Å) and two longer (2.64 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to one Co, two equivalent Ni, and onemore » Al atom. The Al–Al bond length is 2.83 Å. In the fourth Al site, Al is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. In the fifth Al site, Al is bonded in a 4-coordinate geometry to three Co, one Ni, and seven Al atoms. All Al–Al bond lengths are 2.67 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Co, one Ni, and one Al atom. The Al–Al bond length is 2.88 Å. In the seventh Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Co, one Ni, and one Al atom. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and eight Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1228742
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; Al9Co2Ni; Al-Co-Ni
OSTI Identifier:
1758409
DOI:
https://doi.org/10.17188/1758409

Citation Formats

The Materials Project. Materials Data on Al9Co2Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758409.
The Materials Project. Materials Data on Al9Co2Ni by Materials Project. United States. doi:https://doi.org/10.17188/1758409
The Materials Project. 2020. "Materials Data on Al9Co2Ni by Materials Project". United States. doi:https://doi.org/10.17188/1758409. https://www.osti.gov/servlets/purl/1758409. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758409,
title = {Materials Data on Al9Co2Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Co2NiAl9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.52 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.61 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.50–2.63 Å. Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.63 Å. There are ten inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three Co and three Al atoms. There are one shorter (2.50 Å) and two longer (2.64 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to one Co, two equivalent Ni, and one Al atom. The Al–Al bond length is 2.83 Å. In the fourth Al site, Al is bonded in a bent 150 degrees geometry to two equivalent Ni atoms. In the fifth Al site, Al is bonded in a 4-coordinate geometry to three Co, one Ni, and seven Al atoms. All Al–Al bond lengths are 2.67 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Co, one Ni, and one Al atom. The Al–Al bond length is 2.88 Å. In the seventh Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Co, one Ni, and one Al atom. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and eight Al atoms.},
doi = {10.17188/1758409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}