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Title: Materials Data on CeAlRh by Materials Project

Abstract

CeRhAl 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 Rh and six Al atoms. There are a spread of Ce–Rh bond distances ranging from 2.93–3.11 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.32 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.71–3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Rh–Al bond distances ranging from 2.62–2.66 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are a spread of Rh–Al bond distances ranging from 2.65–2.80 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Ce and four Rh atoms. In the second Al site, Al is bonded to three equivalent Ce and four Rh atoms tomore » form a mixture of distorted face and edge-sharing AlCe3Rh4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3344
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; CeAlRh; Al-Ce-Rh
OSTI Identifier:
1206579
DOI:
10.17188/1206579

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeAlRh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206579.
Persson, Kristin, & Project, Materials. Materials Data on CeAlRh by Materials Project. United States. doi:10.17188/1206579.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeAlRh by Materials Project". United States. doi:10.17188/1206579. https://www.osti.gov/servlets/purl/1206579. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1206579,
title = {Materials Data on CeAlRh by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CeRhAl 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 Rh and six Al atoms. There are a spread of Ce–Rh bond distances ranging from 2.93–3.11 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.32 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.71–3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Rh–Al bond distances ranging from 2.62–2.66 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are a spread of Rh–Al bond distances ranging from 2.65–2.80 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Ce and four Rh atoms. In the second Al site, Al is bonded to three equivalent Ce and four Rh atoms to form a mixture of distorted face and edge-sharing AlCe3Rh4 tetrahedra.},
doi = {10.17188/1206579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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