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Title: Materials Data on ThAl2Co3 by Materials Project

Abstract

ThCo3Al2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to ten Co atoms. There are a spread of Th–Co bond distances ranging from 2.82–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Th, four equivalent Co, and four equivalent Al atoms. All Co–Co bond lengths are 2.48 Å. All Co–Al bond lengths are 2.48 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th, five Co, and four equivalent Al atoms. There are one shorter (2.76 Å) and two longer (3.01 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.55 Å. Al is bonded to six Co atoms to form a mixture of distorted edge, corner, and face-sharing AlCo6 cuboctahedra.

Publication Date:
Other Number(s):
mp-1217301
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ThAl2Co3; Al-Co-Th
OSTI Identifier:
1744270
DOI:
https://doi.org/10.17188/1744270

Citation Formats

The Materials Project. Materials Data on ThAl2Co3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744270.
The Materials Project. Materials Data on ThAl2Co3 by Materials Project. United States. doi:https://doi.org/10.17188/1744270
The Materials Project. 2020. "Materials Data on ThAl2Co3 by Materials Project". United States. doi:https://doi.org/10.17188/1744270. https://www.osti.gov/servlets/purl/1744270. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744270,
title = {Materials Data on ThAl2Co3 by Materials Project},
author = {The Materials Project},
abstractNote = {ThCo3Al2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to ten Co atoms. There are a spread of Th–Co bond distances ranging from 2.82–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Th, four equivalent Co, and four equivalent Al atoms. All Co–Co bond lengths are 2.48 Å. All Co–Al bond lengths are 2.48 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th, five Co, and four equivalent Al atoms. There are one shorter (2.76 Å) and two longer (3.01 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.55 Å. Al is bonded to six Co atoms to form a mixture of distorted edge, corner, and face-sharing AlCo6 cuboctahedra.},
doi = {10.17188/1744270},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}