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Title: Materials Data on CeAlRu by Materials Project

Abstract

CeRuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Ru and six Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.80–3.04 Å. There are a spread of Ce–Al bond distances ranging from 3.17–3.28 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.86–3.12 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are a spread of Ru–Al bond distances ranging from 2.68–2.79 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Ru–Al bond distances ranging from 2.62–2.67 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce and four Ru atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four equivalent Ce andmore » four Ru atoms.« less

Publication Date:
Other Number(s):
mp-604008
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; CeAlRu; Al-Ce-Ru
OSTI Identifier:
1272925
DOI:
10.17188/1272925

Citation Formats

The Materials Project. Materials Data on CeAlRu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272925.
The Materials Project. Materials Data on CeAlRu by Materials Project. United States. doi:10.17188/1272925.
The Materials Project. 2020. "Materials Data on CeAlRu by Materials Project". United States. doi:10.17188/1272925. https://www.osti.gov/servlets/purl/1272925. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272925,
title = {Materials Data on CeAlRu by Materials Project},
author = {The Materials Project},
abstractNote = {CeRuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Ru and six Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.80–3.04 Å. There are a spread of Ce–Al bond distances ranging from 3.17–3.28 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.86–3.12 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are a spread of Ru–Al bond distances ranging from 2.68–2.79 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Ru–Al bond distances ranging from 2.62–2.67 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce and four Ru atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to four equivalent Ce and four Ru atoms.},
doi = {10.17188/1272925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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