Materials Data on KLiS by Materials Project

doi:10.17188/1734175

Title: Materials Data on KLiS by Materials Project

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Abstract

KLiS crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 43°. All K–S bond lengths are 3.33 Å. Li1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Li–S bond lengths are 2.43 Å. S2- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Li1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1077266

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; KLiS; K-Li-S

OSTI Identifier:: 1734175

DOI:: https://doi.org/10.17188/1734175

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                    The Materials Project. Materials Data on KLiS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734175.

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                    The Materials Project. Materials Data on KLiS by Materials Project.  United States.  doi:https://doi.org/10.17188/1734175

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                    The Materials Project. 2020.  
"Materials Data on KLiS by Materials Project".  United States.  doi:https://doi.org/10.17188/1734175.  https://www.osti.gov/servlets/purl/1734175. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1734175,

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

  author       = {The Materials Project},

  abstractNote = {KLiS crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 43°. All K–S bond lengths are 3.33 Å. Li1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Li–S bond lengths are 2.43 Å. S2- is bonded in a distorted trigonal planar geometry to six equivalent K1+ and three equivalent Li1+ atoms.},

  doi          = {10.17188/1734175},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734175

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