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Title: Materials Data on K2RuCl6 by Materials Project

Abstract

K2(RuCl6) 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, and faces with four equivalent RuCl6 octahedra. All K–Cl bond lengths are 3.50 Å. Ru4+ is bonded to six equivalent Cl1- atoms to form RuCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ru–Cl bond lengths are 2.35 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ru4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-23471
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; K2RuCl6; Cl-K-Ru
OSTI Identifier:
1199529
DOI:
https://doi.org/10.17188/1199529

Citation Formats

The Materials Project. Materials Data on K2RuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199529.
The Materials Project. Materials Data on K2RuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1199529
The Materials Project. 2020. "Materials Data on K2RuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1199529. https://www.osti.gov/servlets/purl/1199529. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199529,
title = {Materials Data on K2RuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2(RuCl6) 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, and faces with four equivalent RuCl6 octahedra. All K–Cl bond lengths are 3.50 Å. Ru4+ is bonded to six equivalent Cl1- atoms to form RuCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ru–Cl bond lengths are 2.35 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ru4+ atom.},
doi = {10.17188/1199529},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}