Materials Data on BiTePt by Materials Project

doi:10.17188/1204125

Title: Materials Data on BiTePt by Materials Project

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Abstract

PtBiTe is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Te1- atoms to form PtBi3Te3 octahedra that share corners with twelve equivalent PtBi3Te3 octahedra, corners with three equivalent BiTePt3 trigonal pyramids, and corners with three equivalent TeBiPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Bi bond lengths are 2.82 Å. All Pt–Te bond lengths are 2.77 Å. Bi3+ is bonded to three equivalent Pt2- and one Te1- atom to form distorted BiTePt3 trigonal pyramids that share corners with three equivalent PtBi3Te3 octahedra, corners with six equivalent BiTePt3 trigonal pyramids, and corners with nine equivalent TeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 3.03 Å. Te1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted TeBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Te3 octahedra, corners with six equivalent TeBiPt3 trigonal pyramids, and corners with nine equivalent BiTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-29638

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; BiTePt; Bi-Pt-Te

OSTI Identifier:: 1204125

DOI:: https://doi.org/10.17188/1204125

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                    The Materials Project. Materials Data on BiTePt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204125.

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                    The Materials Project. Materials Data on BiTePt by Materials Project.  United States.  doi:https://doi.org/10.17188/1204125

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                    The Materials Project. 2020.  
"Materials Data on BiTePt by Materials Project".  United States.  doi:https://doi.org/10.17188/1204125.  https://www.osti.gov/servlets/purl/1204125. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1204125,

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

  author       = {The Materials Project},

  abstractNote = {PtBiTe is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Te1- atoms to form PtBi3Te3 octahedra that share corners with twelve equivalent PtBi3Te3 octahedra, corners with three equivalent BiTePt3 trigonal pyramids, and corners with three equivalent TeBiPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Bi bond lengths are 2.82 Å. All Pt–Te bond lengths are 2.77 Å. Bi3+ is bonded to three equivalent Pt2- and one Te1- atom to form distorted BiTePt3 trigonal pyramids that share corners with three equivalent PtBi3Te3 octahedra, corners with six equivalent BiTePt3 trigonal pyramids, and corners with nine equivalent TeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 3.03 Å. Te1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted TeBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Te3 octahedra, corners with six equivalent TeBiPt3 trigonal pyramids, and corners with nine equivalent BiTePt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.},

  doi          = {10.17188/1204125},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204125

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