Materials Data on PtN2 by Materials Project

doi:10.17188/1325126

Title: Materials Data on PtN2 by Materials Project

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Abstract

PtN2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing PtN6 pentagonal pyramids. All Pt–N bond lengths are 2.30 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Pt6+ and one N3- atom. The N–N bond length is 1.20 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-1008809

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; PtN2; N-Pt

OSTI Identifier:: 1325126

DOI:: https://doi.org/10.17188/1325126

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                    The Materials Project. Materials Data on PtN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325126.

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                    The Materials Project. Materials Data on PtN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1325126

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                    The Materials Project. 2020.  
"Materials Data on PtN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1325126.  https://www.osti.gov/servlets/purl/1325126. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1325126,

  title        = {Materials Data on PtN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PtN2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing PtN6 pentagonal pyramids. All Pt–N bond lengths are 2.30 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Pt6+ and one N3- atom. The N–N bond length is 1.20 Å.},

  doi          = {10.17188/1325126},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1325126

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Materials Data on PtN2 by Materials Project

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PtN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Pt6+ is bonded to six equivalent N3- atoms to form PtN6 octahedra that share corners with eight equivalent PtN6 octahedra, corners with six equivalent NPt3N tetrahedra, and edges with two equivalent PtN6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.10 Å) and four longer (2.12 Å) Pt–N bond lengths. N3- is bonded to three equivalent Pt6+ and one N3- atom to form NPt3N tetrahedra that share corners with three equivalent PtN6 octahedra, corners with thirteen equivalent NPt3N tetrahedra, andmore »« less
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