Materials Data on Sc2Si2Pt3 by Materials Project

doi:10.17188/1732893

Title: Materials Data on Sc2Si2Pt3 by Materials Project

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Abstract

Sc2Pt3Si2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sc–Pt bond distances ranging from 2.89–3.22 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to six equivalent Sc3+, three Pt2-, and three equivalent Si atoms. There are one shorter (2.88 Å) and two longer (2.94 Å) Pt–Pt bond lengths. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to four equivalent Sc3+, four equivalent Pt2-, and four equivalent Si atoms. All Pt–Si bond lengths are 2.48 Å. Si is bonded in a 5-coordinate geometry to five Pt2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1104406

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; Sc2Si2Pt3; Pt-Sc-Si

OSTI Identifier:: 1732893

DOI:: https://doi.org/10.17188/1732893

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                    The Materials Project. Materials Data on Sc2Si2Pt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732893.

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                    The Materials Project. Materials Data on Sc2Si2Pt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732893

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                    The Materials Project. 2020.  
"Materials Data on Sc2Si2Pt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732893.  https://www.osti.gov/servlets/purl/1732893. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732893,

  title        = {Materials Data on Sc2Si2Pt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc2Pt3Si2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sc–Pt bond distances ranging from 2.89–3.22 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to six equivalent Sc3+, three Pt2-, and three equivalent Si atoms. There are one shorter (2.88 Å) and two longer (2.94 Å) Pt–Pt bond lengths. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to four equivalent Sc3+, four equivalent Pt2-, and four equivalent Si atoms. All Pt–Si bond lengths are 2.48 Å. Si is bonded in a 5-coordinate geometry to five Pt2- atoms.},

  doi          = {10.17188/1732893},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732893

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