Materials Data on LaCu5 by Materials Project

doi:10.17188/1201110

Title: Materials Data on LaCu5 by Materials Project

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Abstract

LaCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.98 Å) and twelve longer (3.31 Å) La–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent La and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuLa4Cu8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.58 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-2613

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; LaCu5; Cu-La

OSTI Identifier:: 1201110

DOI:: https://doi.org/10.17188/1201110

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                    The Materials Project. Materials Data on LaCu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201110.

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                    The Materials Project. Materials Data on LaCu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201110

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                    The Materials Project. 2020.  
"Materials Data on LaCu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201110.  https://www.osti.gov/servlets/purl/1201110. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201110,

  title        = {Materials Data on LaCu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.98 Å) and twelve longer (3.31 Å) La–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent La and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuLa4Cu8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.58 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Cu atoms.},

  doi          = {10.17188/1201110},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1201110

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