Materials Data on Sn2IF3 by Materials Project
Abstract
Sn2IF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sn2+ is bonded in a 4-coordinate geometry to two equivalent I1- and four F1- atoms. Both Sn–I bond lengths are 3.57 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.39 Å. I1- is bonded in a 11-coordinate geometry to four equivalent Sn2+ and seven F1- atoms. There are a spread of I–F bond distances ranging from 3.62–3.91 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ and two equivalent I1- atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn2+ and three equivalent I1- atoms.
- Publication Date:
- Other Number(s):
- mp-555077
- 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:
- 1268613
- DOI:
- 10.17188/1268613
Citation Formats
The Materials Project. Materials Data on Sn2IF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268613.
The Materials Project. Materials Data on Sn2IF3 by Materials Project. United States. doi:10.17188/1268613.
The Materials Project. 2020.
"Materials Data on Sn2IF3 by Materials Project". United States. doi:10.17188/1268613. https://www.osti.gov/servlets/purl/1268613. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268613,
title = {Materials Data on Sn2IF3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn2IF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sn2+ is bonded in a 4-coordinate geometry to two equivalent I1- and four F1- atoms. Both Sn–I bond lengths are 3.57 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.39 Å. I1- is bonded in a 11-coordinate geometry to four equivalent Sn2+ and seven F1- atoms. There are a spread of I–F bond distances ranging from 3.62–3.91 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Sn2+ and two equivalent I1- atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Sn2+ and three equivalent I1- atoms.},
doi = {10.17188/1268613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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