Materials Data on YN by Materials Project

doi:10.17188/1349866

Title: Materials Data on YN by Materials Project

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Abstract

YN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Y–N bond lengths are 2.48 Å. N3- is bonded to six equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing NY6 pentagonal pyramids.

Publication Date:: 2020-07-18

Other Number(s):: mp-1017533

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; N-Y; YN; crystal structure

OSTI Identifier:: 1349866

DOI:: https://doi.org/10.17188/1349866

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                    Materials Data on YN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349866.

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                    Materials Data on YN by Materials Project.  United States.  doi:https://doi.org/10.17188/1349866

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                    2020.  
"Materials Data on YN by Materials Project".  United States.  doi:https://doi.org/10.17188/1349866.  https://www.osti.gov/servlets/purl/1349866. Pub date:Sat Jul 18 04:00:00 UTC 2020

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@article{osti_1349866,

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

  
  abstractNote = {YN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Y–N bond lengths are 2.48 Å. N3- is bonded to six equivalent Y3+ atoms to form a mixture of distorted corner and edge-sharing NY6 pentagonal pyramids.},

  doi          = {10.17188/1349866},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349866

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Materials Data on YN by Materials Project

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YN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing YN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–N bond lengths are 2.46 Å. N3- is bonded to six equivalent Y3+ atoms to form a mixture of edge and corner-sharing NY6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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YN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, corner, and face-sharing YN6 pentagonal pyramids. All Y–N bond lengths are 2.47 Å. N3- is bonded to six equivalent Y3+ atoms to form a mixture of distorted edge, corner, and face-sharing NY6 pentagonal pyramids.
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YN crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing YN5 trigonal bipyramids. There are three shorter (2.33 Å) and two longer (2.46 Å) Y–N bond lengths. N3- is bonded to five equivalent Y3+ atoms to form a mixture of edge and corner-sharing NY5 trigonal bipyramids.

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