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Title: Materials Data on Tl5SnF9 by Materials Project

Abstract

Tl5SnF9 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.66–3.43 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.68–3.39 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.83–3.10 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are two shorter (2.00 Å) and four longer (2.02 Å) Sn–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four Tl1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom. In the third F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of corner, edge, and face-sharing FTl5 square pyramids. In the fourth F1-more » site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing FTl5 square pyramids. In the fifth F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of corner and edge-sharing FTl5 square pyramids. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-674395
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; Tl5SnF9; F-Sn-Tl
OSTI Identifier:
1282491
DOI:
10.17188/1282491

Citation Formats

The Materials Project. Materials Data on Tl5SnF9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282491.
The Materials Project. Materials Data on Tl5SnF9 by Materials Project. United States. doi:10.17188/1282491.
The Materials Project. 2020. "Materials Data on Tl5SnF9 by Materials Project". United States. doi:10.17188/1282491. https://www.osti.gov/servlets/purl/1282491. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1282491,
title = {Materials Data on Tl5SnF9 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl5SnF9 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.66–3.43 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.68–3.39 Å. In the third Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.83–3.10 Å. Sn4+ is bonded in an octahedral geometry to six F1- atoms. There are two shorter (2.00 Å) and four longer (2.02 Å) Sn–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to four Tl1+ and one Sn4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom. In the third F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of corner, edge, and face-sharing FTl5 square pyramids. In the fourth F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing FTl5 square pyramids. In the fifth F1- site, F1- is bonded to five Tl1+ atoms to form a mixture of corner and edge-sharing FTl5 square pyramids. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Sn4+ atom.},
doi = {10.17188/1282491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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