Materials Data on Ca3Sn13Pt4 by Materials Project

doi:10.17188/1730592

Title: Materials Data on Ca3Sn13Pt4 by Materials Project

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Abstract

Ca3Pt4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Pt and twelve equivalent Sn atoms. All Ca–Pt bond lengths are 3.51 Å. There are eight shorter (3.48 Å) and four longer (3.52 Å) Ca–Sn bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ca, two equivalent Pt, and one Sn atom. The Sn–Sn bond length is 3.40 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1214141

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; Ca3Sn13Pt4; Ca-Pt-Sn

OSTI Identifier:: 1730592

DOI:: https://doi.org/10.17188/1730592

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                    The Materials Project. Materials Data on Ca3Sn13Pt4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1730592.

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                    The Materials Project. Materials Data on Ca3Sn13Pt4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1730592

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                    The Materials Project. 2020.  
"Materials Data on Ca3Sn13Pt4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1730592.  https://www.osti.gov/servlets/purl/1730592. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1730592,

  title        = {Materials Data on Ca3Sn13Pt4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3Pt4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Pt and twelve equivalent Sn atoms. All Ca–Pt bond lengths are 3.51 Å. There are eight shorter (3.48 Å) and four longer (3.52 Å) Ca–Sn bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ca, two equivalent Pt, and one Sn atom. The Sn–Sn bond length is 3.40 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.},

  doi          = {10.17188/1730592},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1730592

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