Materials Data on KPt2S3 by Materials Project

doi:10.17188/1204932

Title: Materials Data on KPt2S3 by Materials Project

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Abstract

KPt2S3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2S3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent S+1.67- atoms. All K–S bond lengths are 3.37 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent S+1.67- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All Pt–S bond lengths are 2.35 Å. S+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SKPt3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-30533

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; KPt2S3; K-Pt-S

OSTI Identifier:: 1204932

DOI:: https://doi.org/10.17188/1204932

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                    The Materials Project. Materials Data on KPt2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204932.

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                    The Materials Project. Materials Data on KPt2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204932

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                    The Materials Project. 2020.  
"Materials Data on KPt2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204932.  https://www.osti.gov/servlets/purl/1204932. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204932,

  title        = {Materials Data on KPt2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KPt2S3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2S3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent S+1.67- atoms. All K–S bond lengths are 3.37 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent S+1.67- atoms. All Pt–S bond lengths are 2.42 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent S+1.67- atoms. All Pt–S bond lengths are 2.35 Å. S+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted edge and corner-sharing SKPt3 trigonal pyramids.},

  doi          = {10.17188/1204932},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204932

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