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Title: Materials Data on UAl7Fe5 by Materials Project

Abstract

UFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of U–Fe bond distances ranging from 3.09–3.37 Å. There are a spread of U–Al bond distances ranging from 2.88–3.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, three Fe, and seven Al atoms. There are one shorter (2.45 Å) and two longer (2.49 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.47–2.66 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Fe–Al bond distances ranging from 2.64–2.68 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Fe, and three Almore » atoms. Both Al–Al bond lengths are 2.83 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one U, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.67 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, five Fe, and five Al atoms.« less

Publication Date:
Other Number(s):
mp-1216328
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; UAl7Fe5; Al-Fe-U
OSTI Identifier:
1757554
DOI:
https://doi.org/10.17188/1757554

Citation Formats

The Materials Project. Materials Data on UAl7Fe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757554.
The Materials Project. Materials Data on UAl7Fe5 by Materials Project. United States. doi:https://doi.org/10.17188/1757554
The Materials Project. 2020. "Materials Data on UAl7Fe5 by Materials Project". United States. doi:https://doi.org/10.17188/1757554. https://www.osti.gov/servlets/purl/1757554. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757554,
title = {Materials Data on UAl7Fe5 by Materials Project},
author = {The Materials Project},
abstractNote = {UFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of U–Fe bond distances ranging from 3.09–3.37 Å. There are a spread of U–Al bond distances ranging from 2.88–3.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, three Fe, and seven Al atoms. There are one shorter (2.45 Å) and two longer (2.49 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.47–2.66 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Fe–Al bond distances ranging from 2.64–2.68 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.83 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one U, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.67 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, five Fe, and five Al atoms.},
doi = {10.17188/1757554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}