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Title: Materials Data on Sr2SnSe3F2 by Materials Project

Abstract

Sr2SnSe3F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one Se2- and four equivalent F1- atoms. The Sr–Se bond length is 3.56 Å. There are a spread of Sr–F bond distances ranging from 2.57–2.60 Å. Sn4+ is bonded to four Se2- atoms to form corner-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.61 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second Se2- site, Se2- 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 distorted edge and corner-sharing FSr4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-17057
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; Sr2SnSe3F2; F-Se-Sn-Sr
OSTI Identifier:
1192310
DOI:
https://doi.org/10.17188/1192310

Citation Formats

The Materials Project. Materials Data on Sr2SnSe3F2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192310.
The Materials Project. Materials Data on Sr2SnSe3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1192310
The Materials Project. 2020. "Materials Data on Sr2SnSe3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1192310. https://www.osti.gov/servlets/purl/1192310. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192310,
title = {Materials Data on Sr2SnSe3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2SnSe3F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to one Se2- and four equivalent F1- atoms. The Sr–Se bond length is 3.56 Å. There are a spread of Sr–F bond distances ranging from 2.57–2.60 Å. Sn4+ is bonded to four Se2- atoms to form corner-sharing SnSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.52–2.61 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Sn4+ atom. In the second Se2- site, Se2- 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 distorted edge and corner-sharing FSr4 tetrahedra.},
doi = {10.17188/1192310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}