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Title: Materials Data on Ce(In2Au)2 by Materials Project

Abstract

Ce(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Au and ten In atoms. There are a spread of Ce–Au bond distances ranging from 3.46–3.95 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.74 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.05 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Au atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the fourth In site, In is bonded to one Ce andmore » four Au atoms to form a mixture of distorted edge and corner-sharing InCeAu4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-21537
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(In2Au)2; Au-Ce-In
OSTI Identifier:
1196980
DOI:
10.17188/1196980

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce(In2Au)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196980.
Persson, Kristin, & Project, Materials. Materials Data on Ce(In2Au)2 by Materials Project. United States. doi:10.17188/1196980.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce(In2Au)2 by Materials Project". United States. doi:10.17188/1196980. https://www.osti.gov/servlets/purl/1196980. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1196980,
title = {Materials Data on Ce(In2Au)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce(AuIn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Au and ten In atoms. There are a spread of Ce–Au bond distances ranging from 3.46–3.95 Å. There are a spread of Ce–In bond distances ranging from 3.33–3.74 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.05 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to three equivalent Ce and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to three equivalent Ce and four Au atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Au atoms. In the fourth In site, In is bonded to one Ce and four Au atoms to form a mixture of distorted edge and corner-sharing InCeAu4 tetrahedra.},
doi = {10.17188/1196980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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