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Title: Materials Data on Dy(Al5Fe)2 by Materials Project

Abstract

DyFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Dy–Fe bond lengths are 3.41 Å. There are a spread of Dy–Al bond distances ranging from 3.11–3.64 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Dy and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–2.99 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.81 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, twomore » equivalent Fe, and eight Al atoms. There are one shorter (2.58 Å) and one longer (2.80 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to one Dy, two equivalent Fe, and nine Al atoms to form a mixture of distorted face and corner-sharing AlDyAl9Fe2 cuboctahedra. The Al–Al bond length is 2.70 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1213056
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; Dy(Al5Fe)2; Al-Dy-Fe
OSTI Identifier:
1751840
DOI:
https://doi.org/10.17188/1751840

Citation Formats

The Materials Project. Materials Data on Dy(Al5Fe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751840.
The Materials Project. Materials Data on Dy(Al5Fe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1751840
The Materials Project. 2020. "Materials Data on Dy(Al5Fe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1751840. https://www.osti.gov/servlets/purl/1751840. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751840,
title = {Materials Data on Dy(Al5Fe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Dy–Fe bond lengths are 3.41 Å. There are a spread of Dy–Al bond distances ranging from 3.11–3.64 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Dy and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–2.99 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.81 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy, two equivalent Fe, and eight Al atoms. There are one shorter (2.58 Å) and one longer (2.80 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded to one Dy, two equivalent Fe, and nine Al atoms to form a mixture of distorted face and corner-sharing AlDyAl9Fe2 cuboctahedra. The Al–Al bond length is 2.70 Å.},
doi = {10.17188/1751840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}