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Title: Materials Data on Cs2TlSiH6 by Materials Project

Abstract

Cs2SiH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2SiH6 framework. In the Cs2SiH6 framework, Cs is bonded to twelve equivalent H 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 SiH6 octahedra. All Cs–H bond lengths are 3.23 Å. Si is bonded to six equivalent H atoms to form SiH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Si–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Si atom.

Authors:
Publication Date:
Other Number(s):
mp-989560
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; Cs2TlSiH6; Cs-H-Si-Tl
OSTI Identifier:
1316859
DOI:
https://doi.org/10.17188/1316859

Citation Formats

The Materials Project. Materials Data on Cs2TlSiH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316859.
The Materials Project. Materials Data on Cs2TlSiH6 by Materials Project. United States. doi:https://doi.org/10.17188/1316859
The Materials Project. 2020. "Materials Data on Cs2TlSiH6 by Materials Project". United States. doi:https://doi.org/10.17188/1316859. https://www.osti.gov/servlets/purl/1316859. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316859,
title = {Materials Data on Cs2TlSiH6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2SiH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2SiH6 framework. In the Cs2SiH6 framework, Cs is bonded to twelve equivalent H 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 SiH6 octahedra. All Cs–H bond lengths are 3.23 Å. Si is bonded to six equivalent H atoms to form SiH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Si–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Si atom.},
doi = {10.17188/1316859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}