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Title: Materials Data on CeCu6 by Materials Project

Abstract

CeCu6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of Ce–Cu bond distances ranging from 2.85–3.39 Å. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 2-coordinate geometry to four equivalent Ce and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.17 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–3.16 Å. In the third Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.44–2.52 Å. In the fourth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.46–2.57 Å. In the fifth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce andmore » nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–3.03 Å. In the sixth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-581942
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; CeCu6; Ce-Cu
OSTI Identifier:
1276918
DOI:
https://doi.org/10.17188/1276918

Citation Formats

The Materials Project. Materials Data on CeCu6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1276918.
The Materials Project. Materials Data on CeCu6 by Materials Project. United States. doi:https://doi.org/10.17188/1276918
The Materials Project. 2017. "Materials Data on CeCu6 by Materials Project". United States. doi:https://doi.org/10.17188/1276918. https://www.osti.gov/servlets/purl/1276918. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1276918,
title = {Materials Data on CeCu6 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCu6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to nineteen Cu atoms. There are a spread of Ce–Cu bond distances ranging from 2.85–3.39 Å. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded in a 2-coordinate geometry to four equivalent Ce and ten Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–3.17 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.48–3.16 Å. In the third Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.44–2.52 Å. In the fourth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of corner, edge, and face-sharing CuCe3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.46–2.57 Å. In the fifth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Ce and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–3.03 Å. In the sixth Cu site, Cu is bonded to three equivalent Ce and nine Cu atoms to form a mixture of distorted corner, edge, and face-sharing CuCe3Cu9 cuboctahedra.},
doi = {10.17188/1276918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}