Materials Data on VCu3O4 by Materials Project

doi:10.17188/1263047

Title: Materials Data on VCu3O4 by Materials Project

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Abstract

Cu3VO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with twelve CuO4 tetrahedra. All V–O bond lengths are 1.80 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight CuO4 tetrahedra. All Cu–O bond lengths are 2.04 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. O2- is bonded to one V5+ and three Cu1+ atoms to form corner-sharing OVCu3 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-510657

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; VCu3O4; Cu-O-V

OSTI Identifier:: 1263047

DOI:: https://doi.org/10.17188/1263047

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                    The Materials Project. Materials Data on VCu3O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263047.

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                    The Materials Project. Materials Data on VCu3O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263047

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                    The Materials Project. 2020.  
"Materials Data on VCu3O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263047.  https://www.osti.gov/servlets/purl/1263047. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1263047,

  title        = {Materials Data on VCu3O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3VO4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with twelve CuO4 tetrahedra. All V–O bond lengths are 1.80 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight CuO4 tetrahedra. All Cu–O bond lengths are 2.04 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with eight equivalent CuO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. O2- is bonded to one V5+ and three Cu1+ atoms to form corner-sharing OVCu3 tetrahedra.},

  doi          = {10.17188/1263047},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263047

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