Materials Data on CaInCu4 by Materials Project

doi:10.17188/1275898

Title: Materials Data on CaInCu4 by Materials Project

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Abstract

CaCu4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Ca–Cu bond lengths are 3.01 Å. All Ca–In bond lengths are 3.14 Å. Cu is bonded to three equivalent Ca, six equivalent Cu, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CuCa3In3Cu6 cuboctahedra. There are three shorter (2.55 Å) and three longer (2.58 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 3.01 Å. In is bonded in a 4-coordinate geometry to four equivalent Ca and twelve equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-570769

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; CaInCu4; Ca-Cu-In

OSTI Identifier:: 1275898

DOI:: https://doi.org/10.17188/1275898

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                    The Materials Project. Materials Data on CaInCu4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275898.

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                    The Materials Project. Materials Data on CaInCu4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275898

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                    The Materials Project. 2020.  
"Materials Data on CaInCu4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275898.  https://www.osti.gov/servlets/purl/1275898. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275898,

  title        = {Materials Data on CaInCu4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaCu4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Ca–Cu bond lengths are 3.01 Å. All Ca–In bond lengths are 3.14 Å. Cu is bonded to three equivalent Ca, six equivalent Cu, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CuCa3In3Cu6 cuboctahedra. There are three shorter (2.55 Å) and three longer (2.58 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 3.01 Å. In is bonded in a 4-coordinate geometry to four equivalent Ca and twelve equivalent Cu atoms.},

  doi          = {10.17188/1275898},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275898

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