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Title: Materials Data on Sn4OF6 by Materials Project

Abstract

Sn4OF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. In the second Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.13–2.42 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.14–2.60 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.11–2.32 Å. O2- is bonded in a trigonal planar geometry to three Sn2+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometrymore » to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28932
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; Sn4OF6; F-O-Sn
OSTI Identifier:
1203002
DOI:
https://doi.org/10.17188/1203002

Citation Formats

The Materials Project. Materials Data on Sn4OF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203002.
The Materials Project. Materials Data on Sn4OF6 by Materials Project. United States. doi:https://doi.org/10.17188/1203002
The Materials Project. 2020. "Materials Data on Sn4OF6 by Materials Project". United States. doi:https://doi.org/10.17188/1203002. https://www.osti.gov/servlets/purl/1203002. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1203002,
title = {Materials Data on Sn4OF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn4OF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.17–2.45 Å. In the second Sn2+ site, Sn2+ is bonded in a rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.13–2.42 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to one O2- and three F1- atoms. The Sn–O bond length is 2.10 Å. There are a spread of Sn–F bond distances ranging from 2.14–2.60 Å. In the fourth Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Sn–F bond distances ranging from 2.11–2.32 Å. O2- is bonded in a trigonal planar geometry to three Sn2+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Sn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sn2+ atoms.},
doi = {10.17188/1203002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}