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Title: Materials Data on Tl3SiF7 by Materials Project

Abstract

Tl3SiF7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six 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 2.71–3.35 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.70–3.39 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 2.70–3.15 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Tl–F bond distances ranging from 2.66–2.92 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.64–3.52 Å. In the sixth 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 2.64–3.19 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bondedmore » in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.70–1.73 Å. In the second Si4+ site, Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.69–1.74 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded to six Tl1+ atoms to form distorted face-sharing FTl6 octahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the fourth F1- site, F1- is bonded to six Tl1+ atoms to form distorted face-sharing FTl6 octahedra. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to two Tl1+ and one Si4+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the twelfth F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the thirteenth F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Si4+ atom. In the fourteenth F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-674366
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; Tl3SiF7; F-Si-Tl
OSTI Identifier:
1282486
DOI:
10.17188/1282486

Citation Formats

The Materials Project. Materials Data on Tl3SiF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282486.
The Materials Project. Materials Data on Tl3SiF7 by Materials Project. United States. doi:10.17188/1282486.
The Materials Project. 2020. "Materials Data on Tl3SiF7 by Materials Project". United States. doi:10.17188/1282486. https://www.osti.gov/servlets/purl/1282486. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1282486,
title = {Materials Data on Tl3SiF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl3SiF7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six 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 2.71–3.35 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.70–3.39 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 2.70–3.15 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Tl–F bond distances ranging from 2.66–2.92 Å. In the fifth Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to nine F1- atoms. There are a spread of Tl–F bond distances ranging from 2.64–3.52 Å. In the sixth 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 2.64–3.19 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.70–1.73 Å. In the second Si4+ site, Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.69–1.74 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded to six Tl1+ atoms to form distorted face-sharing FTl6 octahedra. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the fourth F1- site, F1- is bonded to six Tl1+ atoms to form distorted face-sharing FTl6 octahedra. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom. In the eighth F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to two Tl1+ and one Si4+ atom. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the twelfth F1- site, F1- is bonded in a distorted single-bond geometry to two Tl1+ and one Si4+ atom. In the thirteenth F1- site, F1- is bonded in a distorted single-bond geometry to four Tl1+ and one Si4+ atom. In the fourteenth F1- site, F1- is bonded in a distorted single-bond geometry to three Tl1+ and one Si4+ atom.},
doi = {10.17188/1282486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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