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Title: Materials Data on Sm(Al5Ru)2 by Materials Project

Abstract

Sm(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Sm–Ru bond lengths are 3.48 Å. There are a spread of Sm–Al bond distances ranging from 3.18–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Sm and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Sm and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Sm and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Sm and two equivalent Ru atoms.

Authors:
Publication Date:
Other Number(s):
mp-1208900
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; Sm(Al5Ru)2; Al-Ru-Sm
OSTI Identifier:
1672413
DOI:
https://doi.org/10.17188/1672413

Citation Formats

The Materials Project. Materials Data on Sm(Al5Ru)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672413.
The Materials Project. Materials Data on Sm(Al5Ru)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672413
The Materials Project. 2020. "Materials Data on Sm(Al5Ru)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672413. https://www.osti.gov/servlets/purl/1672413. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672413,
title = {Materials Data on Sm(Al5Ru)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Sm–Ru bond lengths are 3.48 Å. There are a spread of Sm–Al bond distances ranging from 3.18–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Sm and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Sm and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Sm and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Sm and two equivalent Ru atoms.},
doi = {10.17188/1672413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}