Materials Data on KPPdS4 by Materials Project

doi:10.17188/1311635

Title: Materials Data on KPPdS4 by Materials Project

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Abstract

KPdPS4 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.37 Å) and four longer (3.55 Å) K–S bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.35 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids. In the second S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-866637

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; KPPdS4; K-P-Pd-S

OSTI Identifier:: 1311635

DOI:: https://doi.org/10.17188/1311635

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                    The Materials Project. Materials Data on KPPdS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311635.

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                    The Materials Project. Materials Data on KPPdS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311635

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                    The Materials Project. 2020.  
"Materials Data on KPPdS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311635.  https://www.osti.gov/servlets/purl/1311635. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1311635,

  title        = {Materials Data on KPPdS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KPdPS4 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.37 Å) and four longer (3.55 Å) K–S bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.35 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids. In the second S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids.},

  doi          = {10.17188/1311635},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1311635

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