Materials Data on PdN by Materials Project

doi:10.17188/1317539

Title: Materials Data on PdN by Materials Project

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Abstract

PdN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of face, edge, and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Pd–N bond lengths are 2.22 Å. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-999303

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; PdN; N-Pd

OSTI Identifier:: 1317539

DOI:: https://doi.org/10.17188/1317539

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                    The Materials Project. Materials Data on PdN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317539.

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                    The Materials Project. Materials Data on PdN by Materials Project.  United States.  doi:https://doi.org/10.17188/1317539

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                    The Materials Project. 2020.  
"Materials Data on PdN by Materials Project".  United States.  doi:https://doi.org/10.17188/1317539.  https://www.osti.gov/servlets/purl/1317539. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1317539,

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

  author       = {The Materials Project},

  abstractNote = {PdN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent N2- atoms to form a mixture of face, edge, and corner-sharing PdN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Pd–N bond lengths are 2.22 Å. N2- is bonded to six equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd6 pentagonal pyramids.},

  doi          = {10.17188/1317539},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317539

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Materials Data on PdN by Materials Project

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PdN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pd2+ is bonded to four equivalent N2- atoms to form corner-sharing PdN4 tetrahedra. All Pd–N bond lengths are 2.06 Å. N2- is bonded to four equivalent Pd2+ atoms to form corner-sharing NPd4 tetrahedra.
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PdN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four equivalent N2- atoms. All Pd–N bond lengths are 2.05 Å. N2- is bonded to four equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing NPd4 tetrahedra.
Materials Data on PdN by Materials Project

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PdN is Boron Nitride structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two PdN sheets oriented in the (0, 0, 1) direction. Pd2+ is bonded in a trigonal planar geometry to three equivalent N2- atoms. All Pd–N bond lengths are 1.95 Å. N2- is bonded in a trigonal planar geometry to three equivalent Pd2+ atoms.

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