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Title: Materials Data on Ce(Al4Co)2 by Materials Project

Abstract

Al8Co2Ce crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to thirteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.14–3.35 Å. There are two 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 2.34–2.60 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 2.31–2.56 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two Co, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–2.86 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two equivalent Co, and four equivalent Al atoms. All Al–Al bondmore » lengths are 2.77 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and five Al atoms. There are one shorter (2.68 Å) and one longer (2.72 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and six Al atoms. There are one shorter (2.70 Å) and one longer (2.85 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and two Al atoms. The Al–Al bond length is 2.70 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and three Al atoms. There are one shorter (2.69 Å) and one longer (2.99 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Al atoms. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1194542
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; Ce(Al4Co)2; Al-Ce-Co
OSTI Identifier:
1667253
DOI:
https://doi.org/10.17188/1667253

Citation Formats

The Materials Project. Materials Data on Ce(Al4Co)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1667253.
The Materials Project. Materials Data on Ce(Al4Co)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667253
The Materials Project. 2019. "Materials Data on Ce(Al4Co)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667253. https://www.osti.gov/servlets/purl/1667253. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1667253,
title = {Materials Data on Ce(Al4Co)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al8Co2Ce crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to thirteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.14–3.35 Å. There are two 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 2.34–2.60 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 2.31–2.56 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two Co, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.79–2.86 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two equivalent Co, and four equivalent Al atoms. All Al–Al bond lengths are 2.77 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and five Al atoms. There are one shorter (2.68 Å) and one longer (2.72 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and six Al atoms. There are one shorter (2.70 Å) and one longer (2.85 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and two Al atoms. The Al–Al bond length is 2.70 Å. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Co, and three Al atoms. There are one shorter (2.69 Å) and one longer (2.99 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Co, and eight Al atoms. In the ninth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms.},
doi = {10.17188/1667253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}