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Title: Materials Data on Cs2TlGaH6 by Materials Project

Abstract

Cs2GaH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2GaH6 framework. In the Cs2GaH6 framework, Cs1+ is bonded to twelve equivalent H1- atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent GaH6 octahedra. All Cs–H bond lengths are 3.16 Å. Ga3+ is bonded to six equivalent H1- atoms to form GaH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Ga–H bond lengths are 1.80 Å. H1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-989553
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; Cs2TlGaH6; Cs-Ga-H-Tl
OSTI Identifier:
1316852
DOI:
https://doi.org/10.17188/1316852

Citation Formats

The Materials Project. Materials Data on Cs2TlGaH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316852.
The Materials Project. Materials Data on Cs2TlGaH6 by Materials Project. United States. doi:https://doi.org/10.17188/1316852
The Materials Project. 2020. "Materials Data on Cs2TlGaH6 by Materials Project". United States. doi:https://doi.org/10.17188/1316852. https://www.osti.gov/servlets/purl/1316852. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316852,
title = {Materials Data on Cs2TlGaH6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2GaH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2GaH6 framework. In the Cs2GaH6 framework, Cs1+ is bonded to twelve equivalent H1- atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent GaH6 octahedra. All Cs–H bond lengths are 3.16 Å. Ga3+ is bonded to six equivalent H1- atoms to form GaH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Ga–H bond lengths are 1.80 Å. H1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ga3+ atom.},
doi = {10.17188/1316852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}