DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tl4GeI6 by Materials Project

Abstract

Tl4GeI6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.53–4.15 Å. Ge2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.99 Å) and four longer (3.07 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Tl1+ and one Ge2+ atom to form distorted corner-sharing ITl4Ge square pyramids. In the second I1- site, I1- is bonded in a 7-coordinate geometry to six equivalent Tl1+ and one Ge2+ atom.

Publication Date:
Other Number(s):
mp-1208159
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; Tl4GeI6; Ge-I-Tl
OSTI Identifier:
1749793
DOI:
https://doi.org/10.17188/1749793

Citation Formats

The Materials Project. Materials Data on Tl4GeI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749793.
The Materials Project. Materials Data on Tl4GeI6 by Materials Project. United States. doi:https://doi.org/10.17188/1749793
The Materials Project. 2020. "Materials Data on Tl4GeI6 by Materials Project". United States. doi:https://doi.org/10.17188/1749793. https://www.osti.gov/servlets/purl/1749793. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1749793,
title = {Materials Data on Tl4GeI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl4GeI6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.53–4.15 Å. Ge2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.99 Å) and four longer (3.07 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Tl1+ and one Ge2+ atom to form distorted corner-sharing ITl4Ge square pyramids. In the second I1- site, I1- is bonded in a 7-coordinate geometry to six equivalent Tl1+ and one Ge2+ atom.},
doi = {10.17188/1749793},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}