Materials Data on TaSb3O8 by Materials Project

doi:10.17188/1732684

Title: Materials Data on TaSb3O8 by Materials Project

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Abstract

TaSb3O8 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are three inequivalent Sb+3.67+ sites. In the first Sb+3.67+ site, Sb+3.67+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Sb–O bond distances ranging from 1.97–2.07 Å. In the second Sb+3.67+ site, Sb+3.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.64 Å. In the third Sb+3.67+ site, Sb+3.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.69 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb+3.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two Sb+3.67+ atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1217944

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; TaSb3O8; O-Sb-Ta

OSTI Identifier:: 1732684

DOI:: https://doi.org/10.17188/1732684

Citation Formats


                    The Materials Project. Materials Data on TaSb3O8 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1732684.

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                    The Materials Project. Materials Data on TaSb3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732684

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                    The Materials Project. 2019.  
"Materials Data on TaSb3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732684.  https://www.osti.gov/servlets/purl/1732684. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1732684,

  title        = {Materials Data on TaSb3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaSb3O8 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Ta–O bond distances ranging from 1.93–2.07 Å. There are three inequivalent Sb+3.67+ sites. In the first Sb+3.67+ site, Sb+3.67+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–43°. There are a spread of Sb–O bond distances ranging from 1.97–2.07 Å. In the second Sb+3.67+ site, Sb+3.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.64 Å. In the third Sb+3.67+ site, Sb+3.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.69 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb+3.67+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ta5+ and two Sb+3.67+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb+3.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two Sb+3.67+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ta5+ and two Sb+3.67+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Ta5+ and two Sb+3.67+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Ta5+ and one Sb+3.67+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ta5+ and one Sb+3.67+ atom.},

  doi          = {10.17188/1732684},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1732684

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