Materials Data on ScGaCu by Materials Project

doi:10.17188/1715092

Title: Materials Data on ScGaCu by Materials Project

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Abstract

ScCuGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ga atoms. There are a spread of Sc–Cu bond distances ranging from 2.88–3.03 Å. There are a spread of Sc–Ga bond distances ranging from 2.92–3.04 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Sc, one Cu, and three equivalent Ga atoms. The Cu–Cu bond length is 2.50 Å. There are two shorter (2.44 Å) and one longer (2.78 Å) Cu–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Sc, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.54 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219296

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; ScGaCu; Cu-Ga-Sc

OSTI Identifier:: 1715092

DOI:: https://doi.org/10.17188/1715092

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                    The Materials Project. Materials Data on ScGaCu by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1715092.

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                    The Materials Project. Materials Data on ScGaCu by Materials Project.  United States.  doi:https://doi.org/10.17188/1715092

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                    The Materials Project. 2019.  
"Materials Data on ScGaCu by Materials Project".  United States.  doi:https://doi.org/10.17188/1715092.  https://www.osti.gov/servlets/purl/1715092. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1715092,

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

  author       = {The Materials Project},

  abstractNote = {ScCuGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ga atoms. There are a spread of Sc–Cu bond distances ranging from 2.88–3.03 Å. There are a spread of Sc–Ga bond distances ranging from 2.92–3.04 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Sc, one Cu, and three equivalent Ga atoms. The Cu–Cu bond length is 2.50 Å. There are two shorter (2.44 Å) and one longer (2.78 Å) Cu–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Sc, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.54 Å.},

  doi          = {10.17188/1715092},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1715092

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