Materials Data on CeSiPt3 by Materials Project

doi:10.17188/1677893

Title: Materials Data on CeSiPt3 by Materials Project

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Abstract

CePt3Si crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CePt3Si sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.26 Å. There are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.41 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.31 Å. Si4- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and five Pt+0.33+ atoms.

Publication Date:: 2019-01-11

Other Number(s):: mp-1207119

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ce-Pt-Si; CeSiPt3; crystal structure

OSTI Identifier:: 1677893

DOI:: https://doi.org/10.17188/1677893

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                    Materials Data on CeSiPt3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677893.

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                    Materials Data on CeSiPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677893

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                    2019.  
"Materials Data on CeSiPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677893.  https://www.osti.gov/servlets/purl/1677893. Pub date:Fri Jan 11 19:00:00 EST 2019

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@article{osti_1677893,

  title        = {Materials Data on CeSiPt3 by Materials Project},

  
  abstractNote = {CePt3Si crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CePt3Si sheet oriented in the (0, 0, 1) direction. Ce3+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Ce–Si bond lengths are 3.26 Å. There are two inequivalent Pt+0.33+ sites. In the first Pt+0.33+ site, Pt+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.41 Å. In the second Pt+0.33+ site, Pt+0.33+ is bonded in a single-bond geometry to one Si4- atom. The Pt–Si bond length is 2.31 Å. Si4- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and five Pt+0.33+ atoms.},

  doi          = {10.17188/1677893},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677893

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