Materials Data on YWN3 by Materials Project

doi:10.17188/1316938

Title: Materials Data on YWN3 by Materials Project

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Abstract

YWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Y–N bond distances ranging from 2.36–2.43 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.85–2.19 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Y3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NY3W trigonal pyramids. In the second N3- site, N3- is bonded to three equivalent Y3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NY3W trigonal pyramids. In the third N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W6+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-989645

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:: 1316938

DOI:: https://doi.org/10.17188/1316938

Citation Formats


                    The Materials Project. Materials Data on YWN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316938.

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                    The Materials Project. Materials Data on YWN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316938

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                    The Materials Project. 2020.  
"Materials Data on YWN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316938.  https://www.osti.gov/servlets/purl/1316938. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316938,

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

  author       = {The Materials Project},

  abstractNote = {YWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Y–N bond distances ranging from 2.36–2.43 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.85–2.19 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Y3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NY3W trigonal pyramids. In the second N3- site, N3- is bonded to three equivalent Y3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NY3W trigonal pyramids. In the third N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three equivalent W6+ atoms.},

  doi          = {10.17188/1316938},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316938

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