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Title: Materials Data on Er3(Al3Ru)4 by Materials Project

Abstract

Er3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Er–Ru bond lengths are 3.36 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.58 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Er and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.68 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Ermore » and two equivalent Ru atoms.« less

Publication Date:
Other Number(s):
mp-1212925
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; Er3(Al3Ru)4; Al-Er-Ru
OSTI Identifier:
1677924
DOI:
https://doi.org/10.17188/1677924

Citation Formats

The Materials Project. Materials Data on Er3(Al3Ru)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677924.
The Materials Project. Materials Data on Er3(Al3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1677924
The Materials Project. 2020. "Materials Data on Er3(Al3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1677924. https://www.osti.gov/servlets/purl/1677924. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1677924,
title = {Materials Data on Er3(Al3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Er–Ru bond lengths are 3.36 Å. There are a spread of Er–Al bond distances ranging from 2.96–3.20 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.39 Å) and six longer (2.58 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Er and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.68 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Er and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Er and two equivalent Ru atoms.},
doi = {10.17188/1677924},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}