Materials Data on VCuO3 by Materials Project

doi:10.17188/1261810

Title: Materials Data on VCuO3 by Materials Project

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Abstract

CuVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form distorted VO6 octahedra that share corners with nine equivalent CuO6 octahedra, edges with three equivalent VO6 octahedra, and a faceface with one CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.82 Å) and three longer (2.07 Å) V–O bond length. Cu1+ is bonded to six equivalent O2- atoms to form distorted CuO6 octahedra that share corners with nine equivalent VO6 octahedra, edges with three equivalent CuO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.04 Å) and three longer (2.28 Å) Cu–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent V5+ and two equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-504580

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; VCuO3; Cu-O-V

OSTI Identifier:: 1261810

DOI:: https://doi.org/10.17188/1261810

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                    The Materials Project. Materials Data on VCuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1261810.

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                    The Materials Project. Materials Data on VCuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1261810

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                    The Materials Project. 2020.  
"Materials Data on VCuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1261810.  https://www.osti.gov/servlets/purl/1261810. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1261810,

  title        = {Materials Data on VCuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. V5+ is bonded to six equivalent O2- atoms to form distorted VO6 octahedra that share corners with nine equivalent CuO6 octahedra, edges with three equivalent VO6 octahedra, and a faceface with one CuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is three shorter (1.82 Å) and three longer (2.07 Å) V–O bond length. Cu1+ is bonded to six equivalent O2- atoms to form distorted CuO6 octahedra that share corners with nine equivalent VO6 octahedra, edges with three equivalent CuO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are three shorter (2.04 Å) and three longer (2.28 Å) Cu–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent V5+ and two equivalent Cu1+ atoms.},

  doi          = {10.17188/1261810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1261810

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