Materials Data on TlWO3 by Materials Project

doi:10.17188/1740121

Title: Materials Data on TlWO3 by Materials Project

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Abstract

WTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.04 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Tl–O bond lengths are 2.88 Å. O2- is bonded in a distorted linear geometry to two equivalent W5+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1187621

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; TlWO3; O-Tl-W

OSTI Identifier:: 1740121

DOI:: https://doi.org/10.17188/1740121

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                    The Materials Project. Materials Data on TlWO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740121.

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                    The Materials Project. Materials Data on TlWO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740121

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                    The Materials Project. 2020.  
"Materials Data on TlWO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740121.  https://www.osti.gov/servlets/purl/1740121. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740121,

  title        = {Materials Data on TlWO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WTlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 TlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.04 Å. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share corners with twelve equivalent TlO12 cuboctahedra, faces with six equivalent TlO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Tl–O bond lengths are 2.88 Å. O2- is bonded in a distorted linear geometry to two equivalent W5+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1740121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740121

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