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Title: Materials Data on Sc2(Al3Co)3 by Materials Project

Abstract

Sc2(CoAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Sc–Al bond distances ranging from 2.88–3.02 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.45–2.56 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.80 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sc, two equivalent Co, and two equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Sc, three Co, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sc,more » two equivalent Co, and four equivalent Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1209089
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; Sc2(Al3Co)3; Al-Co-Sc
OSTI Identifier:
1748890
DOI:
https://doi.org/10.17188/1748890

Citation Formats

The Materials Project. Materials Data on Sc2(Al3Co)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748890.
The Materials Project. Materials Data on Sc2(Al3Co)3 by Materials Project. United States. doi:https://doi.org/10.17188/1748890
The Materials Project. 2020. "Materials Data on Sc2(Al3Co)3 by Materials Project". United States. doi:https://doi.org/10.17188/1748890. https://www.osti.gov/servlets/purl/1748890. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748890,
title = {Materials Data on Sc2(Al3Co)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2(CoAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Sc–Al bond distances ranging from 2.88–3.02 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.42–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.45–2.56 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sc, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.80 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sc, two equivalent Co, and two equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Sc, three Co, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sc, two equivalent Co, and four equivalent Al atoms.},
doi = {10.17188/1748890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}