Materials Data on Sn2IF3 by Materials Project

doi:10.17188/1201380

Title: Materials Data on Sn2IF3 by Materials Project

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Abstract

Sn2IF3 crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two Sn2IF3 sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a 4-coordinate geometry to one I1- and four F1- atoms. The Sn–I bond length is 3.54 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Sn2+ and two equivalent F1- atoms. Both I–F bond lengths are 3.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ and one I1- atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-27167

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; Sn2IF3; F-I-Sn

OSTI Identifier:: 1201380

DOI:: https://doi.org/10.17188/1201380

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                    The Materials Project. Materials Data on Sn2IF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201380.

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                    The Materials Project. Materials Data on Sn2IF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201380

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                    The Materials Project. 2020.  
"Materials Data on Sn2IF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201380.  https://www.osti.gov/servlets/purl/1201380. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1201380,

  title        = {Materials Data on Sn2IF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sn2IF3 crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of two Sn2IF3 sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a 4-coordinate geometry to one I1- and four F1- atoms. The Sn–I bond length is 3.54 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Sn2+ and two equivalent F1- atoms. Both I–F bond lengths are 3.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ and one I1- atom.},

  doi          = {10.17188/1201380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201380

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