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

Abstract

YbFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Yb–Fe bond lengths are 3.43 Å. There are a spread of Yb–Al bond distances ranging from 3.11–3.63 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Yb and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.81 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to one Yb, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–3.00 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Fe, and eight Al atoms. There are one shorter (2.59 Å) and three longer (2.81 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to one Yb, two equivalent Fe, andmore » nine Al atoms to form a mixture of distorted face and corner-sharing AlYbAl9Fe2 cuboctahedra. There are one shorter (2.73 Å) and two longer (2.92 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Fe, and eight Al atoms. The Al–Al bond length is 2.76 Å.« less

Publication Date:
Other Number(s):
mp-12789
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; Yb(Al5Fe)2; Al-Fe-Yb
OSTI Identifier:
1189195
DOI:
https://doi.org/10.17188/1189195

Citation Formats

The Materials Project. Materials Data on Yb(Al5Fe)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189195.
The Materials Project. Materials Data on Yb(Al5Fe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189195
The Materials Project. 2020. "Materials Data on Yb(Al5Fe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189195. https://www.osti.gov/servlets/purl/1189195. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1189195,
title = {Materials Data on Yb(Al5Fe)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Yb–Fe bond lengths are 3.43 Å. There are a spread of Yb–Al bond distances ranging from 3.11–3.63 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Yb and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.81 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to one Yb, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–3.00 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Fe, and eight Al atoms. There are one shorter (2.59 Å) and three longer (2.81 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to one Yb, two equivalent Fe, and nine Al atoms to form a mixture of distorted face and corner-sharing AlYbAl9Fe2 cuboctahedra. There are one shorter (2.73 Å) and two longer (2.92 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Yb, two equivalent Fe, and eight Al atoms. The Al–Al bond length is 2.76 Å.},
doi = {10.17188/1189195},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}