Materials Data on Ba(B2Pt3)2 by Materials Project

doi:10.17188/1687880

Title: Materials Data on Ba(B2Pt3)2 by Materials Project

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Abstract

Ba(Pt3B2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Pt+1.33- atoms to form edge-sharing BaPt12 cuboctahedra. All Ba–Pt bond lengths are 3.41 Å. Pt+1.33- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and four B+1.50+ atoms. There are a spread of Pt–B bond distances ranging from 2.20–2.37 Å. There are two inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms. In the second B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1228679

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; Ba(B2Pt3)2; B-Ba-Pt

OSTI Identifier:: 1687880

DOI:: https://doi.org/10.17188/1687880

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                    The Materials Project. Materials Data on Ba(B2Pt3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687880.

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                    The Materials Project. Materials Data on Ba(B2Pt3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687880

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                    The Materials Project. 2020.  
"Materials Data on Ba(B2Pt3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687880.  https://www.osti.gov/servlets/purl/1687880. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1687880,

  title        = {Materials Data on Ba(B2Pt3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(Pt3B2)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Pt+1.33- atoms to form edge-sharing BaPt12 cuboctahedra. All Ba–Pt bond lengths are 3.41 Å. Pt+1.33- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and four B+1.50+ atoms. There are a spread of Pt–B bond distances ranging from 2.20–2.37 Å. There are two inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms. In the second B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six equivalent Pt+1.33- atoms.},

  doi          = {10.17188/1687880},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687880

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