Materials Data on Mn3WO6 by Materials Project

doi:10.17188/1193982

Title: Materials Data on Mn3WO6 by Materials Project

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Abstract

WMn3O6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.96 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.96 Å. Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.12–2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one W6+ and three equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3W trigonal pyramids. In the second O2- site, O2- is bonded to one W6+ and three equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3W tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-19158

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; Mn3WO6; Mn-O-W

OSTI Identifier:: 1193982

DOI:: https://doi.org/10.17188/1193982

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                    The Materials Project. Materials Data on Mn3WO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193982.

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                    The Materials Project. Materials Data on Mn3WO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193982

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                    The Materials Project. 2020.  
"Materials Data on Mn3WO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193982.  https://www.osti.gov/servlets/purl/1193982. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1193982,

  title        = {Materials Data on Mn3WO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WMn3O6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.96 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.96 Å. Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.12–2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one W6+ and three equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3W trigonal pyramids. In the second O2- site, O2- is bonded to one W6+ and three equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3W tetrahedra.},

  doi          = {10.17188/1193982},

  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/10.17188/1193982

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