Materials Data on Sb3O14 by Materials Project

doi:10.17188/1746730

Title: Materials Data on Sb3O14 by Materials Project

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Abstract

(Sb3O11)2(O2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules, two water molecules, and one Sb3O11 framework. In the Sb3O11 framework, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.93–2.22 Å. In the second Sb site, Sb is bonded to five O atoms to form SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 45–64°. There are a spread of Sb–O bond distances ranging from 1.89–2.16 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.40 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the third O site, O is bonded in a single-bond geometry to one Sb atom. In the fourth O site, O is bonded in a water-like geometry to one Sb and onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1179595

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; Sb3O14; O-Sb

OSTI Identifier:: 1746730

DOI:: https://doi.org/10.17188/1746730

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                    The Materials Project. Materials Data on Sb3O14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746730.

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                    The Materials Project. Materials Data on Sb3O14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746730

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                    The Materials Project. 2020.  
"Materials Data on Sb3O14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746730.  https://www.osti.gov/servlets/purl/1746730. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1746730,

  title        = {Materials Data on Sb3O14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Sb3O11)2(O2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules, two water molecules, and one Sb3O11 framework. In the Sb3O11 framework, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.93–2.22 Å. In the second Sb site, Sb is bonded to five O atoms to form SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 45–64°. There are a spread of Sb–O bond distances ranging from 1.89–2.16 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.40 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two Sb atoms. In the third O site, O is bonded in a single-bond geometry to one Sb atom. In the fourth O site, O is bonded in a water-like geometry to one Sb and one O atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the sixth O site, O is bonded in a single-bond geometry to one Sb atom.},

  doi          = {10.17188/1746730},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1746730

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