Materials Data on CaBiAu4 by Materials Project

doi:10.17188/1718410

Title: Materials Data on CaBiAu4 by Materials Project

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Abstract

CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1213974

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; CaBiAu4; Au-Bi-Ca

OSTI Identifier:: 1718410

DOI:: https://doi.org/10.17188/1718410

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                    The Materials Project. Materials Data on CaBiAu4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718410.

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                    The Materials Project. Materials Data on CaBiAu4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718410

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                    The Materials Project. 2020.  
"Materials Data on CaBiAu4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718410.  https://www.osti.gov/servlets/purl/1718410. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1718410,

  title        = {Materials Data on CaBiAu4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaAu4Bi is beta-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms. All Ca–Au bond lengths are 3.35 Å. Au1- is bonded to three equivalent Ca2+, six equivalent Au1-, and three equivalent Bi2+ atoms to form a mixture of face, edge, and corner-sharing AuCa3Bi3Au6 cuboctahedra. There are three shorter (2.85 Å) and three longer (2.86 Å) Au–Au bond lengths. All Au–Bi bond lengths are 3.35 Å. Bi2+ is bonded in a 12-coordinate geometry to twelve equivalent Au1- atoms.},

  doi          = {10.17188/1718410},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1718410

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