Materials Data on CsC4S4N8O2F by Materials Project

doi:10.17188/1747055

Title: Materials Data on CsC4S4N8O2F by Materials Project

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Abstract

CsC2N4S2F(CN2)2(SO)2 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of eight formamidine molecules; eight sulfur monoxide molecules; and two CsC2N4S2F sheets oriented in the (0, 0, 1) direction. In each CsC2N4S2F sheet, Cs1+ is bonded in a 8-coordinate geometry to four equivalent N+0.50- atoms. All Cs–N bond lengths are 3.37 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N+0.50- and one F1- atom. Both C–N bond lengths are 1.30 Å. The C–F bond length is 1.65 Å. N+0.50- is bonded in a 1-coordinate geometry to one Cs1+, one C4+, and one S2- atom. The N–S bond length is 1.80 Å. S2- is bonded in a distorted L-shaped geometry to two equivalent N+0.50- atoms. F1- is bonded in a linear geometry to two equivalent C4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1181828

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; CsC4S4N8O2F; C-Cs-F-N-O-S

OSTI Identifier:: 1747055

DOI:: https://doi.org/10.17188/1747055

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                    The Materials Project. Materials Data on CsC4S4N8O2F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747055.

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                    The Materials Project. Materials Data on CsC4S4N8O2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1747055

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                    The Materials Project. 2020.  
"Materials Data on CsC4S4N8O2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1747055.  https://www.osti.gov/servlets/purl/1747055. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1747055,

  title        = {Materials Data on CsC4S4N8O2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsC2N4S2F(CN2)2(SO)2 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of eight formamidine molecules; eight sulfur monoxide molecules; and two CsC2N4S2F sheets oriented in the (0, 0, 1) direction. In each CsC2N4S2F sheet, Cs1+ is bonded in a 8-coordinate geometry to four equivalent N+0.50- atoms. All Cs–N bond lengths are 3.37 Å. C4+ is bonded in a trigonal planar geometry to two equivalent N+0.50- and one F1- atom. Both C–N bond lengths are 1.30 Å. The C–F bond length is 1.65 Å. N+0.50- is bonded in a 1-coordinate geometry to one Cs1+, one C4+, and one S2- atom. The N–S bond length is 1.80 Å. S2- is bonded in a distorted L-shaped geometry to two equivalent N+0.50- atoms. F1- is bonded in a linear geometry to two equivalent C4+ atoms.},

  doi          = {10.17188/1747055},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1747055

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