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Title: Materials Data on Tb2Al3Fe by Materials Project

Abstract

Tb2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Fe and nine equivalent Al atoms. All Tb–Fe bond lengths are 3.24 Å. There are three shorter (3.15 Å) and six longer (3.21 Å) Tb–Al bond lengths. Fe is bonded to six equivalent Tb and six equivalent Al atoms to form FeTb6Al6 cuboctahedra that share corners with six equivalent FeTb6Al6 cuboctahedra, corners with twelve equivalent AlTb6Al4Fe2 cuboctahedra, edges with six equivalent FeTb6Al6 cuboctahedra, and faces with eighteen equivalent AlTb6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.70 Å. Al is bonded to six equivalent Tb, two equivalent Fe, and four equivalent Al atoms to form AlTb6Al4Fe2 cuboctahedra that share corners with four equivalent FeTb6Al6 cuboctahedra, corners with fourteen equivalent AlTb6Al4Fe2 cuboctahedra, edges with six equivalent AlTb6Al4Fe2 cuboctahedra, faces with six equivalent FeTb6Al6 cuboctahedra, and faces with twelve equivalent AlTb6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.76 Å.

Authors:
Publication Date:
Other Number(s):
mp-1217687
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; Tb2Al3Fe; Al-Fe-Tb
OSTI Identifier:
1681318
DOI:
https://doi.org/10.17188/1681318

Citation Formats

The Materials Project. Materials Data on Tb2Al3Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681318.
The Materials Project. Materials Data on Tb2Al3Fe by Materials Project. United States. doi:https://doi.org/10.17188/1681318
The Materials Project. 2020. "Materials Data on Tb2Al3Fe by Materials Project". United States. doi:https://doi.org/10.17188/1681318. https://www.osti.gov/servlets/purl/1681318. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681318,
title = {Materials Data on Tb2Al3Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Fe and nine equivalent Al atoms. All Tb–Fe bond lengths are 3.24 Å. There are three shorter (3.15 Å) and six longer (3.21 Å) Tb–Al bond lengths. Fe is bonded to six equivalent Tb and six equivalent Al atoms to form FeTb6Al6 cuboctahedra that share corners with six equivalent FeTb6Al6 cuboctahedra, corners with twelve equivalent AlTb6Al4Fe2 cuboctahedra, edges with six equivalent FeTb6Al6 cuboctahedra, and faces with eighteen equivalent AlTb6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.70 Å. Al is bonded to six equivalent Tb, two equivalent Fe, and four equivalent Al atoms to form AlTb6Al4Fe2 cuboctahedra that share corners with four equivalent FeTb6Al6 cuboctahedra, corners with fourteen equivalent AlTb6Al4Fe2 cuboctahedra, edges with six equivalent AlTb6Al4Fe2 cuboctahedra, faces with six equivalent FeTb6Al6 cuboctahedra, and faces with twelve equivalent AlTb6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.76 Å.},
doi = {10.17188/1681318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}