Materials Data on ScInCu4 by Materials Project

doi:10.17188/1189476

Title: Materials Data on ScInCu4 by Materials Project

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Abstract

ScCu4In is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Sc–Cu bond lengths are 2.93 Å. All Sc–In bond lengths are 3.07 Å. Cu is bonded to three equivalent Sc, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, face, and corner-sharing CuSc3In3Cu6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.51 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.94 Å. In is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-13240

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; ScInCu4; Cu-In-Sc

OSTI Identifier:: 1189476

DOI:: https://doi.org/10.17188/1189476

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                    The Materials Project. Materials Data on ScInCu4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189476.

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                    The Materials Project. Materials Data on ScInCu4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189476

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                    The Materials Project. 2020.  
"Materials Data on ScInCu4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189476.  https://www.osti.gov/servlets/purl/1189476. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189476,

  title        = {Materials Data on ScInCu4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScCu4In is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Sc–Cu bond lengths are 2.93 Å. All Sc–In bond lengths are 3.07 Å. Cu is bonded to three equivalent Sc, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, face, and corner-sharing CuSc3In3Cu6 cuboctahedra. There are three shorter (2.50 Å) and three longer (2.51 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.94 Å. In is bonded in a 4-coordinate geometry to four equivalent Sc and twelve equivalent Cu atoms.},

  doi          = {10.17188/1189476},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189476

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