Materials Data on K7LiSi8 by Materials Project

doi:10.17188/1207663

Title: Materials Data on K7LiSi8 by Materials Project

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Abstract

KK6LiSi8 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of four potassium molecules and one K6LiSi8 framework. In the K6LiSi8 framework, K1+ is bonded in a 6-coordinate geometry to six Si1- atoms. There are a spread of K–Si bond distances ranging from 3.41–3.52 Å. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent Si1- atoms. All Li–Si bond lengths are 2.71 Å. There are two inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 1-coordinate geometry to four equivalent K1+, one Li1+, and three Si1- atoms. There are one shorter (2.41 Å) and two longer (2.46 Å) Si–Si bond lengths. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to six equivalent K1+ and three equivalent Si1- atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-3949

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; K7LiSi8; K-Li-Si

OSTI Identifier:: 1207663

DOI:: https://doi.org/10.17188/1207663

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                    The Materials Project. Materials Data on K7LiSi8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207663.

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                    The Materials Project. Materials Data on K7LiSi8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207663

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                    The Materials Project. 2020.  
"Materials Data on K7LiSi8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207663.  https://www.osti.gov/servlets/purl/1207663. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1207663,

  title        = {Materials Data on K7LiSi8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KK6LiSi8 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of four potassium molecules and one K6LiSi8 framework. In the K6LiSi8 framework, K1+ is bonded in a 6-coordinate geometry to six Si1- atoms. There are a spread of K–Si bond distances ranging from 3.41–3.52 Å. Li1+ is bonded in a distorted hexagonal planar geometry to six equivalent Si1- atoms. All Li–Si bond lengths are 2.71 Å. There are two inequivalent Si1- sites. In the first Si1- site, Si1- is bonded in a 1-coordinate geometry to four equivalent K1+, one Li1+, and three Si1- atoms. There are one shorter (2.41 Å) and two longer (2.46 Å) Si–Si bond lengths. In the second Si1- site, Si1- is bonded in a 9-coordinate geometry to six equivalent K1+ and three equivalent Si1- atoms.},

  doi          = {10.17188/1207663},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207663

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