Materials Data on FeWO4 by Materials Project

doi:10.17188/1194432

Title: Materials Data on FeWO4 by Materials Project

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Abstract

FeWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent FeO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of W–O bond distances ranging from 1.84–2.13 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Fe–O bond distances ranging from 2.13–2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Fe2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-19421

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; FeWO4; Fe-O-W

OSTI Identifier:: 1194432

DOI:: https://doi.org/10.17188/1194432

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                    The Materials Project. Materials Data on FeWO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194432.

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                    The Materials Project. Materials Data on FeWO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194432

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                    The Materials Project. 2020.  
"Materials Data on FeWO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194432.  https://www.osti.gov/servlets/purl/1194432. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1194432,

  title        = {Materials Data on FeWO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent FeO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of W–O bond distances ranging from 1.84–2.13 Å. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Fe–O bond distances ranging from 2.13–2.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Fe2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Fe2+ atoms.},

  doi          = {10.17188/1194432},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1194432

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