Materials Data on V2ZnO5 by Materials Project

doi:10.17188/1318378

Title: Materials Data on V2ZnO5 by Materials Project

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Abstract

V2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. Zn2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V4+ and two equivalent Zn2+ atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent V4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mvc-11970

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; V2ZnO5; O-V-Zn

OSTI Identifier:: 1318378

DOI:: https://doi.org/10.17188/1318378

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                    The Materials Project. Materials Data on V2ZnO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318378.

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                    The Materials Project. Materials Data on V2ZnO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318378

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                    The Materials Project. 2020.  
"Materials Data on V2ZnO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318378.  https://www.osti.gov/servlets/purl/1318378. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1318378,

  title        = {Materials Data on V2ZnO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. V4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. Zn2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent V4+ and two equivalent Zn2+ atoms to form corner-sharing OV2Zn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent V4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Zn2+ atoms.},

  doi          = {10.17188/1318378},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1318378

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