Materials Data on K2S5O16 by Materials Project

doi:10.17188/1201971

Title: Materials Data on K2S5O16 by Materials Project

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Abstract

K2S5O16 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.17 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There is two shorter (1.43 Å) and two longer (1.61 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.72 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form distorted corner-sharing SO4 trigonal pyramids. There are a spread of S–O bond distances ranging from 1.44–1.92 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the fourthmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-27792

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; K2S5O16; K-O-S

OSTI Identifier:: 1201971

DOI:: https://doi.org/10.17188/1201971

Citation Formats


                    The Materials Project. Materials Data on K2S5O16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201971.

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                    The Materials Project. Materials Data on K2S5O16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201971

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                    The Materials Project. 2020.  
"Materials Data on K2S5O16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201971.  https://www.osti.gov/servlets/purl/1201971. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1201971,

  title        = {Materials Data on K2S5O16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2S5O16 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.17 Å. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There is two shorter (1.43 Å) and two longer (1.61 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form corner-sharing SO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.43–1.72 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form distorted corner-sharing SO4 trigonal pyramids. There are a spread of S–O bond distances ranging from 1.44–1.92 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two S6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom.},

  doi          = {10.17188/1201971},

  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/10.17188/1201971

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