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Title: Materials Data on Tb(AlFe)6 by Materials Project

Abstract

TbFe6Al6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are four shorter (3.23 Å) and eight longer (3.28 Å) Tb–Fe bond lengths. There are a spread of Tb–Al bond distances ranging from 2.87–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb, four Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FeTb2Al6Fe4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) Fe–Fe bond lengths. There are two shorter (2.52 Å) and four longer (2.60 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded to two equivalent Tb, four equivalent Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FeTb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.58–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tb, six Fe, and three Al atoms. There are one shorter (2.66 Å) and two longer (2.82 Å) Al–Al bond lengths.more » In the second Al site, Al is bonded in a 8-coordinate geometry to one Tb and six Fe atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb, six Fe, and two equivalent Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1217840
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; Tb(AlFe)6; Al-Fe-Tb
OSTI Identifier:
1741317
DOI:
https://doi.org/10.17188/1741317

Citation Formats

The Materials Project. Materials Data on Tb(AlFe)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741317.
The Materials Project. Materials Data on Tb(AlFe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1741317
The Materials Project. 2020. "Materials Data on Tb(AlFe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1741317. https://www.osti.gov/servlets/purl/1741317. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1741317,
title = {Materials Data on Tb(AlFe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {TbFe6Al6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to twelve Fe and eight Al atoms. There are four shorter (3.23 Å) and eight longer (3.28 Å) Tb–Fe bond lengths. There are a spread of Tb–Al bond distances ranging from 2.87–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Tb, four Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FeTb2Al6Fe4 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) Fe–Fe bond lengths. There are two shorter (2.52 Å) and four longer (2.60 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded to two equivalent Tb, four equivalent Fe, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing FeTb2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.58–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tb, six Fe, and three Al atoms. There are one shorter (2.66 Å) and two longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Tb and six Fe atoms. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb, six Fe, and two equivalent Al atoms.},
doi = {10.17188/1741317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}