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Title: Materials Data on Sn2IF3 by Materials Project

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.

Publication Date:
Other Number(s):
mp-27167
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sn2IF3; F-I-Sn
OSTI Identifier:
1201380
DOI:
10.17188/1201380

Citation Formats

The Materials Project. Materials Data on Sn2IF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201380.
The Materials Project. Materials Data on Sn2IF3 by Materials Project. United States. doi:10.17188/1201380.
The Materials Project. 2020. "Materials Data on Sn2IF3 by Materials Project". United States. doi:10.17188/1201380. https://www.osti.gov/servlets/purl/1201380. Pub date:Sat Jul 18 00:00:00 EDT 2020
@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 = {2020},
month = {7}
}

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