Materials Data on CrBiTeO6 by Materials Project

doi:10.17188/1676576

Title: Materials Data on CrBiTeO6 by Materials Project

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Abstract

BiCrTeO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent BiO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Cr–O bond lengths are 2.02 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent CrO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. All Bi–O bond lengths are 2.40 Å. Te4+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent BiO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Te–O bond lengths are 1.96 Å. O2- is bonded in a distorted trigonal planar geometry to one Cr5+, one Bi3+, and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1226306

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; CrBiTeO6; Bi-Cr-O-Te

OSTI Identifier:: 1676576

DOI:: https://doi.org/10.17188/1676576

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                    The Materials Project. Materials Data on CrBiTeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676576.

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                    The Materials Project. Materials Data on CrBiTeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676576

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                    The Materials Project. 2020.  
"Materials Data on CrBiTeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676576.  https://www.osti.gov/servlets/purl/1676576. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1676576,

  title        = {Materials Data on CrBiTeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiCrTeO6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cr5+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent BiO6 octahedra and edges with three equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Cr–O bond lengths are 2.02 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent CrO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. All Bi–O bond lengths are 2.40 Å. Te4+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent BiO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Te–O bond lengths are 1.96 Å. O2- is bonded in a distorted trigonal planar geometry to one Cr5+, one Bi3+, and one Te4+ atom.},

  doi          = {10.17188/1676576},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676576

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