Materials Data on SnCSNF by Materials Project

doi:10.17188/1269195

Title: Materials Data on SnCSNF by Materials Project

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Abstract

SnCNSF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnCNSF ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded to one N3- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SnNF3 trigonal pyramids. The Sn–N bond length is 2.22 Å. There are one shorter (2.28 Å) and two longer (2.40 Å) Sn–F bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a distorted linear geometry to one Sn2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to one C4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-556146

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; SnCSNF; C-F-N-S-Sn

OSTI Identifier:: 1269195

DOI:: https://doi.org/10.17188/1269195

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                    The Materials Project. Materials Data on SnCSNF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269195.

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                    The Materials Project. Materials Data on SnCSNF by Materials Project.  United States.  doi:https://doi.org/10.17188/1269195

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                    The Materials Project. 2020.  
"Materials Data on SnCSNF by Materials Project".  United States.  doi:https://doi.org/10.17188/1269195.  https://www.osti.gov/servlets/purl/1269195. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1269195,

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

  author       = {The Materials Project},

  abstractNote = {SnCNSF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnCNSF ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded to one N3- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SnNF3 trigonal pyramids. The Sn–N bond length is 2.22 Å. There are one shorter (2.28 Å) and two longer (2.40 Å) Sn–F bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a distorted linear geometry to one Sn2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to one C4+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ atoms.},

  doi          = {10.17188/1269195},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269195

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