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Title: Materials Data on Tb(CrFe5)2 by Materials Project

Abstract

TbFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Tb–Cr bond lengths are 3.11 Å. There are a spread of Tb–Fe bond distances ranging from 3.01–3.20 Å. Cr is bonded in a 9-coordinate geometry to one Tb, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.23 Å. There are a spread of Cr–Fe bond distances ranging from 2.55–2.84 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, two equivalent Cr, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.70 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, two equivalent Cr, and eight Fe atoms. There are four shorter (2.41 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Tb, two equivalent Cr, and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeTb2Cr2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.58 Å)more » Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Tb, four equivalent Cr, and nine Fe atoms. The Fe–Fe bond length is 2.35 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1217844
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(CrFe5)2; Cr-Fe-Tb
OSTI Identifier:
1674798
DOI:
https://doi.org/10.17188/1674798

Citation Formats

The Materials Project. Materials Data on Tb(CrFe5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1674798.
The Materials Project. Materials Data on Tb(CrFe5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1674798
The Materials Project. 2019. "Materials Data on Tb(CrFe5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1674798. https://www.osti.gov/servlets/purl/1674798. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1674798,
title = {Materials Data on Tb(CrFe5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TbFe10Cr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to two equivalent Cr and eighteen Fe atoms. Both Tb–Cr bond lengths are 3.11 Å. There are a spread of Tb–Fe bond distances ranging from 3.01–3.20 Å. Cr is bonded in a 9-coordinate geometry to one Tb, one Cr, and twelve Fe atoms. The Cr–Cr bond length is 2.23 Å. There are a spread of Cr–Fe bond distances ranging from 2.55–2.84 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, two equivalent Cr, and eight Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.70 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tb, two equivalent Cr, and eight Fe atoms. There are four shorter (2.41 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to two equivalent Tb, two equivalent Cr, and eight Fe atoms to form a mixture of corner, edge, and face-sharing FeTb2Cr2Fe8 cuboctahedra. There are two shorter (2.34 Å) and two longer (2.58 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Tb, four equivalent Cr, and nine Fe atoms. The Fe–Fe bond length is 2.35 Å.},
doi = {10.17188/1674798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}