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Title: Materials Data on Cs2HfI6 by Materials Project

Abstract

Cs2HfI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent HfI6 octahedra. All Cs–I bond lengths are 4.25 Å. Hf4+ is bonded to six equivalent I1- atoms to form HfI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Hf–I bond lengths are 2.86 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Hf4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-29398
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; Cs2HfI6; Cs-Hf-I
OSTI Identifier:
1203773
DOI:
https://doi.org/10.17188/1203773

Citation Formats

The Materials Project. Materials Data on Cs2HfI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203773.
The Materials Project. Materials Data on Cs2HfI6 by Materials Project. United States. doi:https://doi.org/10.17188/1203773
The Materials Project. 2020. "Materials Data on Cs2HfI6 by Materials Project". United States. doi:https://doi.org/10.17188/1203773. https://www.osti.gov/servlets/purl/1203773. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203773,
title = {Materials Data on Cs2HfI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2HfI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent HfI6 octahedra. All Cs–I bond lengths are 4.25 Å. Hf4+ is bonded to six equivalent I1- atoms to form HfI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Hf–I bond lengths are 2.86 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Hf4+ atom.},
doi = {10.17188/1203773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}