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Title: Materials Data on Cs2TlInH6 by Materials Project

Abstract

Cs2InH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2InH6 framework. In the Cs2InH6 framework, Cs1+ is bonded to twelve equivalent H+0.67- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent InH6 octahedra. All Cs–H bond lengths are 3.26 Å. In1+ is bonded to six equivalent H+0.67- atoms to form InH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All In–H bond lengths are 1.98 Å. H+0.67- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one In1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-996945
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; Cs2TlInH6; Cs-H-In-Tl
OSTI Identifier:
1317071
DOI:
https://doi.org/10.17188/1317071

Citation Formats

The Materials Project. Materials Data on Cs2TlInH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317071.
The Materials Project. Materials Data on Cs2TlInH6 by Materials Project. United States. doi:https://doi.org/10.17188/1317071
The Materials Project. 2020. "Materials Data on Cs2TlInH6 by Materials Project". United States. doi:https://doi.org/10.17188/1317071. https://www.osti.gov/servlets/purl/1317071. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317071,
title = {Materials Data on Cs2TlInH6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2InH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2InH6 framework. In the Cs2InH6 framework, Cs1+ is bonded to twelve equivalent H+0.67- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent InH6 octahedra. All Cs–H bond lengths are 3.26 Å. In1+ is bonded to six equivalent H+0.67- atoms to form InH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All In–H bond lengths are 1.98 Å. H+0.67- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one In1+ atom.},
doi = {10.17188/1317071},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}