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Title: Materials Data on Tl3GeF7 by Materials Project

Abstract

Tl3GeF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Tl–F bond distances ranging from 2.77–3.15 Å. In the second Tl1+ site, Tl1+ is bonded to six F1- atoms to form TlF6 octahedra that share corners with four equivalent GeF6 octahedra and corners with six equivalent TlF6 octahedra. The corner-sharing octahedra tilt angles range from 0–70°. There are two shorter (3.00 Å) and four longer (3.10 Å) Tl–F bond lengths. Ge4+ is bonded to six F1- atoms to form GeF6 octahedra that share corners with four equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 70°. All Ge–F bond lengths are 1.84 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one Ge4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to four Tl1+ and one Ge4+ atom. In the third F1- site, F1- is bonded to six Tl1+ atoms to form corner-sharing FTl6 octahedra. The corner-sharing octahedra tilt anglesmore » range from 0–22°.« less

Authors:
Publication Date:
Other Number(s):
mp-1208140
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; Tl3GeF7; F-Ge-Tl
OSTI Identifier:
1748880
DOI:
https://doi.org/10.17188/1748880

Citation Formats

The Materials Project. Materials Data on Tl3GeF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748880.
The Materials Project. Materials Data on Tl3GeF7 by Materials Project. United States. doi:https://doi.org/10.17188/1748880
The Materials Project. 2020. "Materials Data on Tl3GeF7 by Materials Project". United States. doi:https://doi.org/10.17188/1748880. https://www.osti.gov/servlets/purl/1748880. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748880,
title = {Materials Data on Tl3GeF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl3GeF7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Tl–F bond distances ranging from 2.77–3.15 Å. In the second Tl1+ site, Tl1+ is bonded to six F1- atoms to form TlF6 octahedra that share corners with four equivalent GeF6 octahedra and corners with six equivalent TlF6 octahedra. The corner-sharing octahedra tilt angles range from 0–70°. There are two shorter (3.00 Å) and four longer (3.10 Å) Tl–F bond lengths. Ge4+ is bonded to six F1- atoms to form GeF6 octahedra that share corners with four equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 70°. All Ge–F bond lengths are 1.84 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one Ge4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to four Tl1+ and one Ge4+ atom. In the third F1- site, F1- is bonded to six Tl1+ atoms to form corner-sharing FTl6 octahedra. The corner-sharing octahedra tilt angles range from 0–22°.},
doi = {10.17188/1748880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}