Materials Data on K2HS2NO6 by Materials Project

doi:10.17188/1283443

Title: Materials Data on K2HS2NO6 by Materials Project

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Abstract

(KSO3)2NH crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two ammonia molecules and one KSO3 sheet oriented in the (0, 0, 1) direction. In the KSO3 sheet, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.19 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.08 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.48 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometrymore »« less

Authors:: The Materials Project

Publication Date:: Sat May 20 00:00:00 EDT 2017

Other Number(s):: mp-679406

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; K2HS2NO6; H-K-N-O-S

OSTI Identifier:: 1283443

DOI:: https://doi.org/10.17188/1283443

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                    The Materials Project. Materials Data on K2HS2NO6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1283443.

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                    The Materials Project. Materials Data on K2HS2NO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283443

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                    The Materials Project. 2017.  
"Materials Data on K2HS2NO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283443.  https://www.osti.gov/servlets/purl/1283443. Pub date:Sat May 20 00:00:00 EDT 2017

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@article{osti_1283443,

  title        = {Materials Data on K2HS2NO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(KSO3)2NH crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of two ammonia molecules and one KSO3 sheet oriented in the (0, 0, 1) direction. In the KSO3 sheet, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.19 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–3.08 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. In the second S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.48 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S2+ atom.},

  doi          = {10.17188/1283443},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 20 00:00:00 EDT 2017},

  month        = {Sat May 20 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1283443

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