Materials Data on V2Zn3O11 by Materials Project

doi:10.17188/1709689

Title: Materials Data on V2Zn3O11 by Materials Project

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Abstract

V2Zn3O11 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V is bonded to four O atoms to form VO4 tetrahedra that share corners with six equivalent ZnO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is three shorter (1.75 Å) and one longer (1.79 Å) V–O bond length. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with four equivalent ZnO6 octahedra. There are two shorter (2.06 Å) and four longer (2.14 Å) Zn–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent Zn and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one V and two equivalent Zn atoms. In the third O site, O is bonded in a single-bond geometry to one O atom. In the fourth O site, O is bonded in a linear geometry to two equivalent V atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207938

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; V2Zn3O11; O-V-Zn

OSTI Identifier:: 1709689

DOI:: https://doi.org/10.17188/1709689

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                    The Materials Project. Materials Data on V2Zn3O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709689.

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                    The Materials Project. Materials Data on V2Zn3O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709689

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                    The Materials Project. 2020.  
"Materials Data on V2Zn3O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709689.  https://www.osti.gov/servlets/purl/1709689. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1709689,

  title        = {Materials Data on V2Zn3O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Zn3O11 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V is bonded to four O atoms to form VO4 tetrahedra that share corners with six equivalent ZnO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is three shorter (1.75 Å) and one longer (1.79 Å) V–O bond length. Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with four equivalent ZnO6 octahedra. There are two shorter (2.06 Å) and four longer (2.14 Å) Zn–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent Zn and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one V and two equivalent Zn atoms. In the third O site, O is bonded in a single-bond geometry to one O atom. In the fourth O site, O is bonded in a linear geometry to two equivalent V atoms.},

  doi          = {10.17188/1709689},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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