Materials Data on ZnMoO4 by Materials Project

doi:10.17188/1748924

Title: Materials Data on ZnMoO4 by Materials Project

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Abstract

ZnMoO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with eight equivalent ZnO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Mo–O bond distances ranging from 1.81–2.18 Å. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Zn–O bond distances ranging from 2.04–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1095420

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; ZnMoO4; Mo-O-Zn

OSTI Identifier:: 1748924

DOI:: https://doi.org/10.17188/1748924

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                    The Materials Project. Materials Data on ZnMoO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748924.

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                    The Materials Project. Materials Data on ZnMoO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748924

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                    The Materials Project. 2020.  
"Materials Data on ZnMoO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748924.  https://www.osti.gov/servlets/purl/1748924. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748924,

  title        = {Materials Data on ZnMoO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnMoO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with eight equivalent ZnO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Mo–O bond distances ranging from 1.81–2.18 Å. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Zn–O bond distances ranging from 2.04–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Zn2+ atoms.},

  doi          = {10.17188/1748924},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748924

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