U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn2ClF3 by Materials Project
Abstract
Sn2ClF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three F1- atoms. There are one shorter (2.15 Å) and two longer (2.16 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three equivalent Cl1- and three F1- atoms. There are one shorter (3.18 Å) and two longer (3.19 Å) Sn–Cl bond lengths. All Sn–F bond lengths are 2.21 Å. Cl1- is bonded in a 12-coordinate geometry to three equivalent Sn2+ and nine F1- atoms. There are a spread of Cl–F bond distances ranging from 3.24–3.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms.
- Publication Date:
- Other Number(s):
- mp-29252
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-F-Sn; Sn2ClF3; crystal structure
- OSTI Identifier:
- 1203630
- DOI:
- https://doi.org/10.17188/1203630
Citation Formats
Materials Data on Sn2ClF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203630.
Materials Data on Sn2ClF3 by Materials Project. United States. doi:https://doi.org/10.17188/1203630
2020.
"Materials Data on Sn2ClF3 by Materials Project". United States. doi:https://doi.org/10.17188/1203630. https://www.osti.gov/servlets/purl/1203630. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1203630,
title = {Materials Data on Sn2ClF3 by Materials Project},
abstractNote = {Sn2ClF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three F1- atoms. There are one shorter (2.15 Å) and two longer (2.16 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a 3-coordinate geometry to three equivalent Cl1- and three F1- atoms. There are one shorter (3.18 Å) and two longer (3.19 Å) Sn–Cl bond lengths. All Sn–F bond lengths are 2.21 Å. Cl1- is bonded in a 12-coordinate geometry to three equivalent Sn2+ and nine F1- atoms. There are a spread of Cl–F bond distances ranging from 3.24–3.52 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ and three equivalent Cl1- atoms.},
doi = {10.17188/1203630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}