Materials Data on KCu4Se3 by Materials Project

doi:10.17188/1186025

Title: Materials Data on KCu4Se3 by Materials Project

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Abstract

KCu4Se3 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.44 Å. Cu+1.25+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.56 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Cu+1.25+ atoms. In the second Se2- site, Se2- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-10092

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; KCu4Se3; Cu-K-Se

OSTI Identifier:: 1186025

DOI:: https://doi.org/10.17188/1186025

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                    The Materials Project. Materials Data on KCu4Se3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186025.

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                    The Materials Project. Materials Data on KCu4Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186025

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                    The Materials Project. 2020.  
"Materials Data on KCu4Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186025.  https://www.osti.gov/servlets/purl/1186025. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186025,

  title        = {Materials Data on KCu4Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KCu4Se3 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All K–Se bond lengths are 3.44 Å. Cu+1.25+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.56 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Cu+1.25+ atoms. In the second Se2- site, Se2- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms.},

  doi          = {10.17188/1186025},

  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/10.17188/1186025

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