Materials Data on Zn2WN2 by Materials Project

doi:10.17188/1318964

Title: Materials Data on Zn2WN2 by Materials Project

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Abstract

WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.

Authors:: The Materials Project

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

Other Number(s):: mvc-13731

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; Zn2WN2; N-W-Zn

OSTI Identifier:: 1318964

DOI:: https://doi.org/10.17188/1318964

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                    The Materials Project. Materials Data on Zn2WN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318964.

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                    The Materials Project. Materials Data on Zn2WN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318964

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                    The Materials Project. 2020.  
"Materials Data on Zn2WN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318964.  https://www.osti.gov/servlets/purl/1318964. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1318964,

  title        = {Materials Data on Zn2WN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.},

  doi          = {10.17188/1318964},

  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/10.17188/1318964

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