Materials Data on Ca3Pt2 by Materials Project

doi:10.17188/1316595

Title: Materials Data on Ca3Pt2 by Materials Project

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Abstract

Ca3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in an octahedral geometry to six equivalent Pt atoms. All Ca–Pt bond lengths are 3.08 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.97–3.27 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (2.91 Å) and three longer (3.10 Å) Ca–Pt bond lengths. Pt is bonded in a 8-coordinate geometry to eight Ca atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-984698

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; Ca3Pt2; Ca-Pt

OSTI Identifier:: 1316595

DOI:: https://doi.org/10.17188/1316595

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                    The Materials Project. Materials Data on Ca3Pt2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316595.

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                    The Materials Project. Materials Data on Ca3Pt2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316595

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                    The Materials Project. 2020.  
"Materials Data on Ca3Pt2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316595.  https://www.osti.gov/servlets/purl/1316595. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1316595,

  title        = {Materials Data on Ca3Pt2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in an octahedral geometry to six equivalent Pt atoms. All Ca–Pt bond lengths are 3.08 Å. In the second Ca site, Ca is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 2.97–3.27 Å. In the third Ca site, Ca is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (2.91 Å) and three longer (3.10 Å) Ca–Pt bond lengths. Pt is bonded in a 8-coordinate geometry to eight Ca atoms.},

  doi          = {10.17188/1316595},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1316595

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