Materials Data on YWN3 by Materials Project

doi:10.17188/1316874

Title: Materials Data on YWN3 by Materials Project

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Abstract

YWN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (2.37 Å) and three longer (2.50 Å) Y–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form distorted corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three shorter (1.90 Å) and three longer (2.22 Å) W–N bond lengths. N3- is bonded to two equivalent Y3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NY2W2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-989576

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; YWN3; N-W-Y

OSTI Identifier:: 1316874

DOI:: https://doi.org/10.17188/1316874

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                    The Materials Project. Materials Data on YWN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316874.

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                    The Materials Project. Materials Data on YWN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316874

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                    The Materials Project. 2020.  
"Materials Data on YWN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316874.  https://www.osti.gov/servlets/purl/1316874. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316874,

  title        = {Materials Data on YWN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YWN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (2.37 Å) and three longer (2.50 Å) Y–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form distorted corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three shorter (1.90 Å) and three longer (2.22 Å) W–N bond lengths. N3- is bonded to two equivalent Y3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NY2W2 tetrahedra.},

  doi          = {10.17188/1316874},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316874

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