U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-674366
- 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; Tl3SiF7; F-Si-Tl
- OSTI Identifier:
- 1282486
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1282486
The Materials Project. 2020.
"Materials Data on Tl3SiF7 by Materials Project". United States. doi:https://doi.org/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 = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}