Materials Data on SiPt3 by Materials Project

doi:10.17188/1196430

Title: Materials Data on SiPt3 by Materials Project

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Abstract

Pt3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted T-shaped geometry to three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.41–2.64 Å. In the second Pt+1.33+ site, Pt+1.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. There are one shorter (2.39 Å) and one longer (2.41 Å) Pt–Si bond lengths. Si4- is bonded in a 8-coordinate geometry to eight Pt+1.33+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-21163

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; SiPt3; Pt-Si

OSTI Identifier:: 1196430

DOI:: https://doi.org/10.17188/1196430

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                    The Materials Project. Materials Data on SiPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196430.

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                    The Materials Project. Materials Data on SiPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196430

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                    The Materials Project. 2020.  
"Materials Data on SiPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196430.  https://www.osti.gov/servlets/purl/1196430. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1196430,

  title        = {Materials Data on SiPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3Si is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted T-shaped geometry to three equivalent Si4- atoms. There are a spread of Pt–Si bond distances ranging from 2.41–2.64 Å. In the second Pt+1.33+ site, Pt+1.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. There are one shorter (2.39 Å) and one longer (2.41 Å) Pt–Si bond lengths. Si4- is bonded in a 8-coordinate geometry to eight Pt+1.33+ atoms.},

  doi          = {10.17188/1196430},

  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/10.17188/1196430

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