Materials Data on SnPtSe by Materials Project

doi:10.17188/1753647

Title: Materials Data on SnPtSe by Materials Project

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Abstract

PtSnSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Sn4+ and three equivalent Se2- atoms to form PtSn3Se3 octahedra that share corners with twelve equivalent PtSn3Se3 octahedra, corners with three equivalent SnPt3Se tetrahedra, and corners with three equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Pt–Sn bond lengths are 2.67 Å. All Pt–Se bond lengths are 2.63 Å. Sn4+ is bonded to three equivalent Pt2- and one Se2- atom to form SnPt3Se tetrahedra that share corners with three equivalent PtSn3Se3 octahedra, corners with six equivalent SnPt3Se tetrahedra, and corners with nine equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sn–Se bond length is 2.70 Å. Se2- is bonded to three equivalent Pt2- and one Sn4+ atom to form SeSnPt3 trigonal pyramids that share corners with three equivalent PtSn3Se3 octahedra, corners with nine equivalent SnPt3Se tetrahedra, and corners with six equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1218926

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; SnPtSe; Pt-Se-Sn

OSTI Identifier:: 1753647

DOI:: https://doi.org/10.17188/1753647

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                    The Materials Project. Materials Data on SnPtSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753647.

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                    The Materials Project. Materials Data on SnPtSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1753647

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                    The Materials Project. 2020.  
"Materials Data on SnPtSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1753647.  https://www.osti.gov/servlets/purl/1753647. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1753647,

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

  author       = {The Materials Project},

  abstractNote = {PtSnSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Sn4+ and three equivalent Se2- atoms to form PtSn3Se3 octahedra that share corners with twelve equivalent PtSn3Se3 octahedra, corners with three equivalent SnPt3Se tetrahedra, and corners with three equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Pt–Sn bond lengths are 2.67 Å. All Pt–Se bond lengths are 2.63 Å. Sn4+ is bonded to three equivalent Pt2- and one Se2- atom to form SnPt3Se tetrahedra that share corners with three equivalent PtSn3Se3 octahedra, corners with six equivalent SnPt3Se tetrahedra, and corners with nine equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sn–Se bond length is 2.70 Å. Se2- is bonded to three equivalent Pt2- and one Sn4+ atom to form SeSnPt3 trigonal pyramids that share corners with three equivalent PtSn3Se3 octahedra, corners with nine equivalent SnPt3Se tetrahedra, and corners with six equivalent SeSnPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°.},

  doi          = {10.17188/1753647},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1753647

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