Materials Data on ZnCuF4 by Materials Project

doi:10.17188/1319061

Title: Materials Data on ZnCuF4 by Materials Project

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Abstract

CuZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.18–2.27 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.16–2.26 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the fourth F1- site, F1- ismore »« less

Authors:: The Materials Project

Publication Date:: 2014-02-06

Other Number(s):: mvc-14182

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; ZnCuF4; Cu-F-Zn

OSTI Identifier:: 1319061

DOI:: https://doi.org/10.17188/1319061

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                    The Materials Project. Materials Data on ZnCuF4 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1319061.

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                    The Materials Project. Materials Data on ZnCuF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319061

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                    The Materials Project. 2014.  
"Materials Data on ZnCuF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319061.  https://www.osti.gov/servlets/purl/1319061. Pub date:Thu Feb 06 00:00:00 EST 2014

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@article{osti_1319061,

  title        = {Materials Data on ZnCuF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Cu–F bond lengths are 1.92 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.18–2.27 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.16–2.26 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to one Cu2+ and two Zn2+ atoms.},

  doi          = {10.17188/1319061},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {2}

}

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DOI: https://doi.org/10.17188/1319061

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