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Title: Materials Data on K2HgBiI6 by Materials Project

Abstract

(K)2HgBiI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one HgBiI6 framework. In the HgBiI6 framework, Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent BiI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.12 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.09 Å. I1- is bonded in a linear geometry to one Hg1+ and one Bi3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1112030
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; K2HgBiI6; Bi-Hg-I-K
OSTI Identifier:
1672466
DOI:
https://doi.org/10.17188/1672466

Citation Formats

The Materials Project. Materials Data on K2HgBiI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672466.
The Materials Project. Materials Data on K2HgBiI6 by Materials Project. United States. doi:https://doi.org/10.17188/1672466
The Materials Project. 2020. "Materials Data on K2HgBiI6 by Materials Project". United States. doi:https://doi.org/10.17188/1672466. https://www.osti.gov/servlets/purl/1672466. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672466,
title = {Materials Data on K2HgBiI6 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)2HgBiI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one HgBiI6 framework. In the HgBiI6 framework, Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent BiI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.12 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.09 Å. I1- is bonded in a linear geometry to one Hg1+ and one Bi3+ atom.},
doi = {10.17188/1672466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}