Materials Data on Ca2GaCu2 by Materials Project

doi:10.17188/1204879

Title: Materials Data on Ca2GaCu2 by Materials Project

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Abstract

Ca2Cu2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Ga atoms. There are four shorter (3.06 Å) and two longer (3.09 Å) Ca–Cu bond lengths. There are two shorter (3.27 Å) and two longer (3.46 Å) Ca–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ca, two equivalent Cu, and two equivalent Ga atoms. There are one shorter (2.64 Å) and one longer (2.86 Å) Cu–Cu bond lengths. Both Cu–Ga bond lengths are 2.55 Å. Ga is bonded to eight equivalent Ca and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing GaCa8Cu4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30472

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; Ca2GaCu2; Ca-Cu-Ga

OSTI Identifier:: 1204879

DOI:: https://doi.org/10.17188/1204879

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                    The Materials Project. Materials Data on Ca2GaCu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204879.

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                    The Materials Project. Materials Data on Ca2GaCu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204879

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                    The Materials Project. 2020.  
"Materials Data on Ca2GaCu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204879.  https://www.osti.gov/servlets/purl/1204879. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204879,

  title        = {Materials Data on Ca2GaCu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2Cu2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to six equivalent Cu and four equivalent Ga atoms. There are four shorter (3.06 Å) and two longer (3.09 Å) Ca–Cu bond lengths. There are two shorter (3.27 Å) and two longer (3.46 Å) Ca–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ca, two equivalent Cu, and two equivalent Ga atoms. There are one shorter (2.64 Å) and one longer (2.86 Å) Cu–Cu bond lengths. Both Cu–Ga bond lengths are 2.55 Å. Ga is bonded to eight equivalent Ca and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing GaCa8Cu4 cuboctahedra.},

  doi          = {10.17188/1204879},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204879

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