Materials Data on TaSbO4 by Materials Project

doi:10.17188/1676775

Title: Materials Data on TaSbO4 by Materials Project

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Abstract

SbTaO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Ta–O bond distances ranging from 1.92–2.06 Å. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.26 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1205391

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; TaSbO4; O-Sb-Ta

OSTI Identifier:: 1676775

DOI:: https://doi.org/10.17188/1676775

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                    The Materials Project. Materials Data on TaSbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676775.

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                    The Materials Project. Materials Data on TaSbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676775

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                    The Materials Project. 2020.  
"Materials Data on TaSbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676775.  https://www.osti.gov/servlets/purl/1676775. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1676775,

  title        = {Materials Data on TaSbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbTaO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Ta–O bond distances ranging from 1.92–2.06 Å. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.26 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms.},

  doi          = {10.17188/1676775},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676775

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