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Title: Materials Data on K3RuF12 by Materials Project

Abstract

K3RuF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.70 Å) and four longer (2.86 Å) K–F bond lengths. In the second K site, K is bonded in a distorted hexagonal planar geometry to six F atoms. There are a spread of K–F bond distances ranging from 2.57–2.74 Å. Ru is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.00 Å) and four longer (2.04 Å) Ru–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one K and one F atom. The F–F bond length is 1.57 Å. In the second F site, F is bonded in a 1-coordinate geometry to two K and one Ru atom. In the third F site, F is bonded in a 1-coordinate geometry to two K and one Ru atom.

Authors:
Publication Date:
Other Number(s):
mp-1212374
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; K3RuF12; F-K-Ru
OSTI Identifier:
1688918
DOI:
https://doi.org/10.17188/1688918

Citation Formats

The Materials Project. Materials Data on K3RuF12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688918.
The Materials Project. Materials Data on K3RuF12 by Materials Project. United States. doi:https://doi.org/10.17188/1688918
The Materials Project. 2019. "Materials Data on K3RuF12 by Materials Project". United States. doi:https://doi.org/10.17188/1688918. https://www.osti.gov/servlets/purl/1688918. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1688918,
title = {Materials Data on K3RuF12 by Materials Project},
author = {The Materials Project},
abstractNote = {K3RuF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.70 Å) and four longer (2.86 Å) K–F bond lengths. In the second K site, K is bonded in a distorted hexagonal planar geometry to six F atoms. There are a spread of K–F bond distances ranging from 2.57–2.74 Å. Ru is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.00 Å) and four longer (2.04 Å) Ru–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to one K and one F atom. The F–F bond length is 1.57 Å. In the second F site, F is bonded in a 1-coordinate geometry to two K and one Ru atom. In the third F site, F is bonded in a 1-coordinate geometry to two K and one Ru atom.},
doi = {10.17188/1688918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}