Materials Data on ZnWF5 by Materials Project

doi:10.17188/1319082

Title: Materials Data on ZnWF5 by Materials Project

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Abstract

WZnF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four shorter (2.11 Å) and two longer (2.14 Å) W–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.92–2.51 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent W3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one W3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one W3+ and one Zn2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mvc-14226

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; ZnWF5; F-W-Zn

OSTI Identifier:: 1319082

DOI:: https://doi.org/10.17188/1319082

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                    The Materials Project. Materials Data on ZnWF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319082.

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                    The Materials Project. Materials Data on ZnWF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319082

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                    The Materials Project. 2020.  
"Materials Data on ZnWF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319082.  https://www.osti.gov/servlets/purl/1319082. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1319082,

  title        = {Materials Data on ZnWF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WZnF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four shorter (2.11 Å) and two longer (2.14 Å) W–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.92–2.51 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent W3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one W3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one W3+ and one Zn2+ atom.},

  doi          = {10.17188/1319082},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1319082

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