Materials Data on Ce3Si11Pt23 by Materials Project

doi:10.17188/1274446

Title: Materials Data on Ce3Si11Pt23 by Materials Project

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Abstract

Ce3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce+3.33+ is bonded to eight equivalent Pt2- atoms to form distorted corner-sharing CePt8 cuboctahedra. All Ce–Pt bond lengths are 3.17 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.51 Å) and three longer (2.52 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the third Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Ce+3.33+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.48 Å. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.44 Å) and three longer (2.50 Å) Pt–Si bond lengths. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-568452

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; Ce3Si11Pt23; Ce-Pt-Si

OSTI Identifier:: 1274446

DOI:: https://doi.org/10.17188/1274446

Citation Formats


                    The Materials Project. Materials Data on Ce3Si11Pt23 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274446.

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                    The Materials Project. Materials Data on Ce3Si11Pt23 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274446

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                    The Materials Project. 2020.  
"Materials Data on Ce3Si11Pt23 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274446.  https://www.osti.gov/servlets/purl/1274446. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1274446,

  title        = {Materials Data on Ce3Si11Pt23 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce+3.33+ is bonded to eight equivalent Pt2- atoms to form distorted corner-sharing CePt8 cuboctahedra. All Ce–Pt bond lengths are 3.17 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.51 Å) and three longer (2.52 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the third Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Ce+3.33+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.48 Å. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.44 Å) and three longer (2.50 Å) Pt–Si bond lengths. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.},

  doi          = {10.17188/1274446},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1274446

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