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Title: Materials Data on CeAl5Pt3 by Materials Project

Abstract

CePt3Al5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.23–3.26 Å. There are a spread of Ce–Al bond distances ranging from 3.23–3.59 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.64 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.50–2.68 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.73 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Ce and five Pt atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the third Almore » site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fourth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fifth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672344
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; CeAl5Pt3; Al-Ce-Pt
OSTI Identifier:
1281855
DOI:
10.17188/1281855

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeAl5Pt3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281855.
Persson, Kristin, & Project, Materials. Materials Data on CeAl5Pt3 by Materials Project. United States. doi:10.17188/1281855.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeAl5Pt3 by Materials Project". United States. doi:10.17188/1281855. https://www.osti.gov/servlets/purl/1281855. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281855,
title = {Materials Data on CeAl5Pt3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CePt3Al5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.23–3.26 Å. There are a spread of Ce–Al bond distances ranging from 3.23–3.59 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.64 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.50–2.68 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.73 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Ce and five Pt atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the third Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fourth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fifth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra.},
doi = {10.17188/1281855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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