Materials Data on AlCu4 by Materials Project

doi:10.17188/1716471

Title: Materials Data on AlCu4 by Materials Project

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Abstract

AlCu4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to nine Cu and three equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.67 Å. There are a spread of Cu–Al bond distances ranging from 2.56–2.68 Å. In the second Cu site, Cu is bonded in a 3-coordinate geometry to nine equivalent Cu and three equivalent Al atoms. All Cu–Al bond lengths are 2.36 Å. Al is bonded to twelve Cu atoms to form a mixture of distorted corner and face-sharing AlCu12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1182885

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; AlCu4; Al-Cu

OSTI Identifier:: 1716471

DOI:: https://doi.org/10.17188/1716471

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                    The Materials Project. Materials Data on AlCu4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716471.

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                    The Materials Project. Materials Data on AlCu4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716471

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                    The Materials Project. 2020.  
"Materials Data on AlCu4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716471.  https://www.osti.gov/servlets/purl/1716471. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1716471,

  title        = {Materials Data on AlCu4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlCu4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to nine Cu and three equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.53–2.67 Å. There are a spread of Cu–Al bond distances ranging from 2.56–2.68 Å. In the second Cu site, Cu is bonded in a 3-coordinate geometry to nine equivalent Cu and three equivalent Al atoms. All Cu–Al bond lengths are 2.36 Å. Al is bonded to twelve Cu atoms to form a mixture of distorted corner and face-sharing AlCu12 cuboctahedra.},

  doi          = {10.17188/1716471},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1716471

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