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Title: Materials Data on K2HgBiCl6 by Materials Project

Abstract

K2HgBiCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All K–Cl bond lengths are 3.94 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.85 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.72 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one Hg1+, and one Bi3+ atom.

Publication Date:
Other Number(s):
mp-1112033
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; K2HgBiCl6; Bi-Cl-Hg-K
OSTI Identifier:
1727245
DOI:
https://doi.org/10.17188/1727245

Citation Formats

The Materials Project. Materials Data on K2HgBiCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727245.
The Materials Project. Materials Data on K2HgBiCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1727245
The Materials Project. 2020. "Materials Data on K2HgBiCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1727245. https://www.osti.gov/servlets/purl/1727245. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727245,
title = {Materials Data on K2HgBiCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2HgBiCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent HgCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All K–Cl bond lengths are 3.94 Å. Hg1+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.85 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.72 Å. Cl1- is bonded in a linear geometry to four equivalent K1+, one Hg1+, and one Bi3+ atom.},
doi = {10.17188/1727245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}