Materials Data on K2S2NO6 by Materials Project

doi:10.17188/1744438

Title: Materials Data on K2S2NO6 by Materials Project

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Abstract

K2NS2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.31 Å. N2- is bonded in a bent 120 degrees geometry to two equivalent S6+ atoms. Both N–S bond lengths are 1.68 Å. S6+ is bonded to one N2- and three O2- atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1191936

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; K2S2NO6; K-N-O-S

OSTI Identifier:: 1744438

DOI:: https://doi.org/10.17188/1744438

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                    The Materials Project. Materials Data on K2S2NO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744438.

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                    The Materials Project. Materials Data on K2S2NO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744438

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                    The Materials Project. 2020.  
"Materials Data on K2S2NO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744438.  https://www.osti.gov/servlets/purl/1744438. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744438,

  title        = {Materials Data on K2S2NO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2NS2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.31 Å. N2- is bonded in a bent 120 degrees geometry to two equivalent S6+ atoms. Both N–S bond lengths are 1.68 Å. S6+ is bonded to one N2- and three O2- atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom.},

  doi          = {10.17188/1744438},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744438

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