Materials Data on Mo3Pt2N by Materials Project

doi:10.17188/1275844

Title: Materials Data on Mo3Pt2N by Materials Project

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Abstract

Pt2Mo3N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo+2.33+ is bonded in a bent 150 degrees geometry to six equivalent Pt2- and two equivalent N3- atoms. There are a spread of Mo–Pt bond distances ranging from 2.76–2.93 Å. Both Mo–N bond lengths are 2.17 Å. Pt2- is bonded to nine equivalent Mo+2.33+ and three equivalent Pt2- atoms to form PtMo9Pt3 cuboctahedra that share corners with fifteen equivalent PtMo9Pt3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent PtMo9Pt3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pt–Pt bond lengths are 2.61 Å. N3- is bonded to six equivalent Mo+2.33+ atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent PtMo9Pt3 cuboctahedra, and faces with eight equivalent PtMo9Pt3 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-570666

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; Mo3Pt2N; Mo-N-Pt

OSTI Identifier:: 1275844

DOI:: https://doi.org/10.17188/1275844

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                    The Materials Project. Materials Data on Mo3Pt2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275844.

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                    The Materials Project. Materials Data on Mo3Pt2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1275844

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                    The Materials Project. 2020.  
"Materials Data on Mo3Pt2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1275844.  https://www.osti.gov/servlets/purl/1275844. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1275844,

  title        = {Materials Data on Mo3Pt2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt2Mo3N crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo+2.33+ is bonded in a bent 150 degrees geometry to six equivalent Pt2- and two equivalent N3- atoms. There are a spread of Mo–Pt bond distances ranging from 2.76–2.93 Å. Both Mo–N bond lengths are 2.17 Å. Pt2- is bonded to nine equivalent Mo+2.33+ and three equivalent Pt2- atoms to form PtMo9Pt3 cuboctahedra that share corners with fifteen equivalent PtMo9Pt3 cuboctahedra, edges with three equivalent NMo6 octahedra, faces with ten equivalent PtMo9Pt3 cuboctahedra, and faces with four equivalent NMo6 octahedra. All Pt–Pt bond lengths are 2.61 Å. N3- is bonded to six equivalent Mo+2.33+ atoms to form distorted NMo6 octahedra that share corners with six equivalent NMo6 octahedra, edges with six equivalent PtMo9Pt3 cuboctahedra, and faces with eight equivalent PtMo9Pt3 cuboctahedra. The corner-sharing octahedral tilt angles are 26°.},

  doi          = {10.17188/1275844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275844

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