DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr2SnS3F2 by Materials Project

Abstract

Sr2SnS3F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one S2- and four equivalent F1- atoms. The Sr–S bond length is 3.37 Å. There are three shorter (2.55 Å) and one longer (2.56 Å) Sr–F bond lengths. Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.37–2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two equivalent Sn4+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-17676
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; Sr2SnS3F2; F-S-Sn-Sr
OSTI Identifier:
1192621
DOI:
https://doi.org/10.17188/1192621

Citation Formats

The Materials Project. Materials Data on Sr2SnS3F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192621.
The Materials Project. Materials Data on Sr2SnS3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1192621
The Materials Project. 2020. "Materials Data on Sr2SnS3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1192621. https://www.osti.gov/servlets/purl/1192621. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192621,
title = {Materials Data on Sr2SnS3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2SnS3F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one S2- and four equivalent F1- atoms. The Sr–S bond length is 3.37 Å. There are three shorter (2.55 Å) and one longer (2.56 Å) Sr–F bond lengths. Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.37–2.49 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two equivalent Sn4+ atoms. F1- is bonded to four equivalent Sr2+ atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra.},
doi = {10.17188/1192621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}