Materials Data on Sn(WO3)3 by Materials Project

doi:10.17188/1291980

Title: Materials Data on Sn(WO3)3 by Materials Project

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Abstract

SnW3O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. In the second W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.87–2.07 Å. In the third W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.93–2.05 Å. Sn4+ is bonded in a 4-coordinate geometry to two O2- atoms. Both Sn–O bond lengths are 2.24 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the third O2- site, O2- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-761454

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; Sn(WO3)3; O-Sn-W

OSTI Identifier:: 1291980

DOI:: https://doi.org/10.17188/1291980

Citation Formats


                    The Materials Project. Materials Data on Sn(WO3)3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1291980.

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                    The Materials Project. Materials Data on Sn(WO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291980

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                    The Materials Project. 2017.  
"Materials Data on Sn(WO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291980.  https://www.osti.gov/servlets/purl/1291980. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1291980,

  title        = {Materials Data on Sn(WO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnW3O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent W+4.67+ sites. In the first W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. In the second W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.87–2.07 Å. In the third W+4.67+ site, W+4.67+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are a spread of W–O bond distances ranging from 1.93–2.05 Å. Sn4+ is bonded in a 4-coordinate geometry to two O2- atoms. Both Sn–O bond lengths are 2.24 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W+4.67+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.67+ and one Sn4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two W+4.67+ atoms. In the ninth O2- site, O2- is bonded in a linear geometry to two equivalent W+4.67+ atoms.},

  doi          = {10.17188/1291980},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1291980

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