Materials Data on CeCu6 by Materials Project

doi:10.17188/1276918

Title: Materials Data on CeCu6 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2017-07-21

Other Number(s):: mp-581942

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; CeCu6; Ce-Cu

OSTI Identifier:: 1276918

DOI:: https://doi.org/10.17188/1276918

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                    The Materials Project. Materials Data on CeCu6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1276918.

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                    The Materials Project. Materials Data on CeCu6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276918

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1276918

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