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

Abstract

CeRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Ce–Ru bond lengths are 3.48 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.66 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, two equivalent Ru, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–3.08 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalent Ru, and two equivalent Almore » atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms.« less

Publication Date:
Other Number(s):
mp-31364
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; Ce(Al5Ru)2; Al-Ce-Ru
OSTI Identifier:
1205611
DOI:
10.17188/1205611

Citation Formats

The Materials Project. Materials Data on Ce(Al5Ru)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1205611.
The Materials Project. Materials Data on Ce(Al5Ru)2 by Materials Project. United States. doi:10.17188/1205611.
The Materials Project. 2017. "Materials Data on Ce(Al5Ru)2 by Materials Project". United States. doi:10.17188/1205611. https://www.osti.gov/servlets/purl/1205611. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1205611,
title = {Materials Data on Ce(Al5Ru)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Ce–Ru bond lengths are 3.48 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.66 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, two equivalent Ru, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–3.08 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalent Ru, and two equivalent Al atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms.},
doi = {10.17188/1205611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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