Materials Data on Sb2O5 by Materials Project

doi:10.17188/1300773

Title: Materials Data on Sb2O5 by Materials Project

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Abstract

Sb2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO5 trigonal bipyramids, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the second Sb5+ site, Sb5+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–63°. There are a spread of Sb–O bond distances ranging from 1.92–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonalmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-771699

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; Sb2O5; O-Sb

OSTI Identifier:: 1300773

DOI:: https://doi.org/10.17188/1300773

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                    The Materials Project. Materials Data on Sb2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300773.

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                    The Materials Project. Materials Data on Sb2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300773

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                    The Materials Project. 2020.  
"Materials Data on Sb2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300773.  https://www.osti.gov/servlets/purl/1300773. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1300773,

  title        = {Materials Data on Sb2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO5 trigonal bipyramids, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the second Sb5+ site, Sb5+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–63°. There are a spread of Sb–O bond distances ranging from 1.92–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb5+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two Sb5+ atoms.},

  doi          = {10.17188/1300773},

  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/10.17188/1300773

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