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Title: Materials Data on Al3Co by Materials Project

Abstract

Al3Co crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four 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 2.33–2.71 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.36–2.92 Å. In the third 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 2.39–2.84 Å. In the fourth 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 2.36–2.75 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co and one Al atom. The Al–Al bond length is 2.65 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to threemore » Co atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.68 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.66 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to four Co and six Al atoms. The Al–Al bond length is 2.70 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the eighth Al site, Al is bonded in a 1-coordinate geometry to three Co atoms. In the ninth Al site, Al is bonded in a 1-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the twelfth Al site, Al is bonded in a distorted linear geometry to two Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1228607
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; Al3Co; Al-Co
OSTI Identifier:
1691332
DOI:
https://doi.org/10.17188/1691332

Citation Formats

The Materials Project. Materials Data on Al3Co by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1691332.
The Materials Project. Materials Data on Al3Co by Materials Project. United States. doi:https://doi.org/10.17188/1691332
The Materials Project. 2019. "Materials Data on Al3Co by Materials Project". United States. doi:https://doi.org/10.17188/1691332. https://www.osti.gov/servlets/purl/1691332. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1691332,
title = {Materials Data on Al3Co by Materials Project},
author = {The Materials Project},
abstractNote = {Al3Co crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four 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 2.33–2.71 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.36–2.92 Å. In the third 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 2.39–2.84 Å. In the fourth 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 2.36–2.75 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co and one Al atom. The Al–Al bond length is 2.65 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to three Co atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to three Co atoms. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.68 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Co and two equivalent Al atoms. Both Al–Al bond lengths are 2.66 Å. In the sixth Al site, Al is bonded in a 3-coordinate geometry to four Co and six Al atoms. The Al–Al bond length is 2.70 Å. In the seventh Al site, Al is bonded in a 12-coordinate geometry to four Co atoms. In the eighth Al site, Al is bonded in a 1-coordinate geometry to three Co atoms. In the ninth Al site, Al is bonded in a 1-coordinate geometry to three Co atoms. In the tenth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the twelfth Al site, Al is bonded in a distorted linear geometry to two Co atoms.},
doi = {10.17188/1691332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}