Materials Data on CsVTeO6 by Materials Project

doi:10.17188/1685165

Title: Materials Data on CsVTeO6 by Materials Project

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Abstract

CsVTeO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–74°. There are a spread of Cs–O bond distances ranging from 3.07–3.26 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 32–74°. There is two shorter (1.85 Å) and four longer (1.92 Å) V–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent VO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 42–71°. There is four shorter (1.93 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1225864

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; CsVTeO6; Cs-O-Te-V

OSTI Identifier:: 1685165

DOI:: https://doi.org/10.17188/1685165

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                    The Materials Project. Materials Data on CsVTeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685165.

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                    The Materials Project. Materials Data on CsVTeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685165

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                    The Materials Project. 2020.  
"Materials Data on CsVTeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685165.  https://www.osti.gov/servlets/purl/1685165. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1685165,

  title        = {Materials Data on CsVTeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsVTeO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–74°. There are a spread of Cs–O bond distances ranging from 3.07–3.26 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 32–74°. There is two shorter (1.85 Å) and four longer (1.92 Å) V–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent VO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 42–71°. There is four shorter (1.93 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Cs1+ and two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one V5+, and one Te6+ atom.},

  doi          = {10.17188/1685165},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1685165

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