Materials Data on NaWO3 by Materials Project

doi:10.17188/1194248

Title: Materials Data on NaWO3 by Materials Project

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Abstract

NaWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Na–O bond lengths are 2.81 Å. W5+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Na1+ and two equivalent W5+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-19328

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; NaWO3; Na-O-W

OSTI Identifier:: 1194248

DOI:: https://doi.org/10.17188/1194248

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                    The Materials Project. Materials Data on NaWO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194248.

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                    The Materials Project. Materials Data on NaWO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194248

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                    The Materials Project. 2020.  
"Materials Data on NaWO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194248.  https://www.osti.gov/servlets/purl/1194248. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1194248,

  title        = {Materials Data on NaWO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Na–O bond lengths are 2.81 Å. W5+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Na1+ and two equivalent W5+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4W2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1194248},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194248

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