skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K3Na(RuO4)2 by Materials Project

Abstract

K3Na(RuO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.20 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 3.01 Å. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RuO4 tetrahedra. All Na–O bond lengths are 2.40 Å. Ru6+ is bonded to four O2- atoms to form RuO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.77 Å) and three longer (1.81 Å) Ru–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four K1+, one Na1+, and one Ru6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one K1+ and one Ru6+ atom.

Publication Date:
Other Number(s):
mp-12047
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; K3Na(RuO4)2; K-Na-O-Ru
OSTI Identifier:
1188534
DOI:
https://doi.org/10.17188/1188534

Citation Formats

The Materials Project. Materials Data on K3Na(RuO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188534.
The Materials Project. Materials Data on K3Na(RuO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1188534
The Materials Project. 2020. "Materials Data on K3Na(RuO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1188534. https://www.osti.gov/servlets/purl/1188534. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1188534,
title = {Materials Data on K3Na(RuO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Na(RuO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.20 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 3.01 Å. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RuO4 tetrahedra. All Na–O bond lengths are 2.40 Å. Ru6+ is bonded to four O2- atoms to form RuO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.77 Å) and three longer (1.81 Å) Ru–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four K1+, one Na1+, and one Ru6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one K1+ and one Ru6+ atom.},
doi = {10.17188/1188534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}