Materials Data on InCu2 by Materials Project

doi:10.17188/1188591

Title: Materials Data on InCu2 by Materials Project

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Abstract

Cu2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to eight Cu and six equivalent In atoms. There are two shorter (2.68 Å) and six longer (2.90 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.90 Å. In the second Cu site, Cu is bonded to six equivalent Cu and five equivalent In atoms to form a mixture of distorted face and corner-sharing CuIn5Cu6 trigonal bipyramids. There are three shorter (2.57 Å) and two longer (2.68 Å) Cu–In bond lengths. In is bonded in a 5-coordinate geometry to eleven Cu atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-12118

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; InCu2; Cu-In

OSTI Identifier:: 1188591

DOI:: https://doi.org/10.17188/1188591

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                    The Materials Project. Materials Data on InCu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188591.

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                    The Materials Project. Materials Data on InCu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188591

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                    The Materials Project. 2020.  
"Materials Data on InCu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188591.  https://www.osti.gov/servlets/purl/1188591. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188591,

  title        = {Materials Data on InCu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to eight Cu and six equivalent In atoms. There are two shorter (2.68 Å) and six longer (2.90 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 2.90 Å. In the second Cu site, Cu is bonded to six equivalent Cu and five equivalent In atoms to form a mixture of distorted face and corner-sharing CuIn5Cu6 trigonal bipyramids. There are three shorter (2.57 Å) and two longer (2.68 Å) Cu–In bond lengths. In is bonded in a 5-coordinate geometry to eleven Cu atoms.},

  doi          = {10.17188/1188591},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1188591

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