Materials Data on KNa2 by Materials Project

doi:10.17188/1275907

Title: Materials Data on KNa2 by Materials Project

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Abstract

KNa2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Na atoms. There are three shorter (4.56 Å) and one longer (4.58 Å) K–K bond lengths. There are nine shorter (4.37 Å) and three longer (4.38 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent K and six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. All Na–Na bond lengths are 3.74 Å. In the second Na site, Na is bonded to six equivalent K and six Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. There are two shorter (3.71 Å) and two longer (3.73 Å) Na–Na bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-570786

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; KNa2; K-Na

OSTI Identifier:: 1275907

DOI:: https://doi.org/10.17188/1275907

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                    The Materials Project. Materials Data on KNa2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275907.

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                    The Materials Project. Materials Data on KNa2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275907

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                    The Materials Project. 2020.  
"Materials Data on KNa2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275907.  https://www.osti.gov/servlets/purl/1275907. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1275907,

  title        = {Materials Data on KNa2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KNa2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Na atoms. There are three shorter (4.56 Å) and one longer (4.58 Å) K–K bond lengths. There are nine shorter (4.37 Å) and three longer (4.38 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to six equivalent K and six equivalent Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. All Na–Na bond lengths are 3.74 Å. In the second Na site, Na is bonded to six equivalent K and six Na atoms to form a mixture of corner, edge, and face-sharing NaK6Na6 cuboctahedra. There are two shorter (3.71 Å) and two longer (3.73 Å) Na–Na bond lengths.},

  doi          = {10.17188/1275907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275907

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