Materials Data on K4Sn23 by Materials Project

doi:10.17188/1189803

Title: Materials Data on K4Sn23 by Materials Project

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Abstract

(K)3KSn23 is Matlockite-derived structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of six potassium molecules and one KSn23 framework. In the KSn23 framework, K is bonded in a distorted body-centered cubic geometry to eight equivalent Sn atoms. All K–Sn bond lengths are 4.03 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted pentagonal planar geometry to one K and four Sn atoms. There are one shorter (2.90 Å) and three longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to four equivalent Sn atoms to form corner-sharing SnSn4 tetrahedra. All Sn–Sn bond lengths are 2.95 Å. In the third Sn site, Sn is bonded to four Sn atoms to form distorted corner-sharing SnSn4 tetrahedra. The Sn–Sn bond length is 2.98 Å.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-13909

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; K4Sn23; K-Sn

OSTI Identifier:: 1189803

DOI:: https://doi.org/10.17188/1189803

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                    The Materials Project. Materials Data on K4Sn23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189803.

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                    The Materials Project. Materials Data on K4Sn23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189803

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                    The Materials Project. 2020.  
"Materials Data on K4Sn23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189803.  https://www.osti.gov/servlets/purl/1189803. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1189803,

  title        = {Materials Data on K4Sn23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(K)3KSn23 is Matlockite-derived structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of six potassium molecules and one KSn23 framework. In the KSn23 framework, K is bonded in a distorted body-centered cubic geometry to eight equivalent Sn atoms. All K–Sn bond lengths are 4.03 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted pentagonal planar geometry to one K and four Sn atoms. There are one shorter (2.90 Å) and three longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to four equivalent Sn atoms to form corner-sharing SnSn4 tetrahedra. All Sn–Sn bond lengths are 2.95 Å. In the third Sn site, Sn is bonded to four Sn atoms to form distorted corner-sharing SnSn4 tetrahedra. The Sn–Sn bond length is 2.98 Å.},

  doi          = {10.17188/1189803},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189803

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