Materials Data on VFeO4 by Materials Project

doi:10.17188/1193724

Title: Materials Data on VFeO4 by Materials Project

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Abstract

FeVO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There is two shorter (1.69 Å) and two longer (1.81 Å) V–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are two shorter (2.00 Å) and four longer (2.07 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Fe3+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-18949

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; VFeO4; Fe-O-V

OSTI Identifier:: 1193724

DOI:: https://doi.org/10.17188/1193724

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                    The Materials Project. Materials Data on VFeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193724.

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                    The Materials Project. Materials Data on VFeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193724

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                    The Materials Project. 2020.  
"Materials Data on VFeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193724.  https://www.osti.gov/servlets/purl/1193724. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1193724,

  title        = {Materials Data on VFeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeVO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There is two shorter (1.69 Å) and two longer (1.81 Å) V–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are two shorter (2.00 Å) and four longer (2.07 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Fe3+ atom.},

  doi          = {10.17188/1193724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193724

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