Materials Data on KSb5O13 by Materials Project

doi:10.17188/1290710

Title: Materials Data on KSb5O13 by Materials Project

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Abstract

KO13Sb5 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.83 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Sb–O bond distances ranging from 1.93–2.08 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–46°. There are a spread of Sb–O bond distances ranging from 1.96–2.19 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Sb–O bond distances ranging from 1.95–2.11 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Sb5+ atoms. In the second O2-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-757115

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; KSb5O13; K-O-Sb

OSTI Identifier:: 1290710

DOI:: https://doi.org/10.17188/1290710

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                    The Materials Project. Materials Data on KSb5O13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290710.

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                    The Materials Project. Materials Data on KSb5O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290710

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                    The Materials Project. 2020.  
"Materials Data on KSb5O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290710.  https://www.osti.gov/servlets/purl/1290710. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1290710,

  title        = {Materials Data on KSb5O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KO13Sb5 crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.83 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Sb–O bond distances ranging from 1.93–2.08 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 26–46°. There are a spread of Sb–O bond distances ranging from 1.96–2.19 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of Sb–O bond distances ranging from 1.95–2.11 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to three Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Sb5+ atoms.},

  doi          = {10.17188/1290710},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290710

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