Materials Data on CsC2S2N(O2F3)2 by Materials Project

doi:10.17188/1276462

Title: Materials Data on CsC2S2N(O2F3)2 by Materials Project

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Abstract

(Cs(SO2)2)2N2(CF3)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight ammonia molecules; sixteen fluoroform molecules; and two Cs(SO2)2 sheets oriented in the (1, 0, 0) direction. In each Cs(SO2)2 sheet, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.36 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one S2+more » atom.« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-573066

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; CsC2S2N(O2F3)2; C-Cs-F-N-O-S

OSTI Identifier:: 1276462

DOI:: https://doi.org/10.17188/1276462

Citation Formats


                    The Materials Project. Materials Data on CsC2S2N(O2F3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276462.

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                    The Materials Project. Materials Data on CsC2S2N(O2F3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276462

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                    The Materials Project. 2020.  
"Materials Data on CsC2S2N(O2F3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276462.  https://www.osti.gov/servlets/purl/1276462. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1276462,

  title        = {Materials Data on CsC2S2N(O2F3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Cs(SO2)2)2N2(CF3)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight ammonia molecules; sixteen fluoroform molecules; and two Cs(SO2)2 sheets oriented in the (1, 0, 0) direction. In each Cs(SO2)2 sheet, Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.36 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. In the second S2+ site, S2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one S2+ atom.},

  doi          = {10.17188/1276462},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276462

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