Materials Data on SiPt2 by Materials Project

doi:10.17188/1355020

Title: Materials Data on SiPt2 by Materials Project

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Abstract

Pt2Si crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si4+ atoms. There are one shorter (2.49 Å) and four longer (2.73 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded to four Si4+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.57 Å) Pt–Si bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 3-coordinate geometry to nine Pt2- atoms. In the second Si4+ site, Si4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1024071

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; SiPt2; Pt-Si

OSTI Identifier:: 1355020

DOI:: https://doi.org/10.17188/1355020

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                    The Materials Project. Materials Data on SiPt2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355020.

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                    The Materials Project. Materials Data on SiPt2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355020

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                    The Materials Project. 2020.  
"Materials Data on SiPt2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355020.  https://www.osti.gov/servlets/purl/1355020. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1355020,

  title        = {Materials Data on SiPt2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt2Si crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si4+ atoms. There are one shorter (2.49 Å) and four longer (2.73 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded to four Si4+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.57 Å) Pt–Si bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 3-coordinate geometry to nine Pt2- atoms. In the second Si4+ site, Si4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms.},

  doi          = {10.17188/1355020},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355020

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