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Title: Materials Data on K2HgIrF6 by Materials Project

Abstract

K2IrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent IrF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.42 Å. Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 1.97 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent IrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.82 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Ir3+, and one Hg1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111958
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; K2HgIrF6; F-Hg-Ir-K
OSTI Identifier:
1729155
DOI:
https://doi.org/10.17188/1729155

Citation Formats

The Materials Project. Materials Data on K2HgIrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729155.
The Materials Project. Materials Data on K2HgIrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1729155
The Materials Project. 2020. "Materials Data on K2HgIrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1729155. https://www.osti.gov/servlets/purl/1729155. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729155,
title = {Materials Data on K2HgIrF6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2IrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent IrF6 octahedra, and faces with four equivalent HgF6 octahedra. All K–F bond lengths are 3.42 Å. Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 1.97 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent IrF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.82 Å. F1- is bonded in a 2-coordinate geometry to four equivalent K1+, one Ir3+, and one Hg1+ atom.},
doi = {10.17188/1729155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}