U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2RuO4 by Materials Project
Abstract
K2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with six equivalent RuO4 tetrahedra and edges with two equivalent KO6 octahedra. There are a spread of K–O bond distances ranging from 2.74–2.86 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.36 Å. Ru6+ is bonded to four O2- atoms to form RuO4 tetrahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 19–67°. There are a spread of Ru–O bond distances ranging from 1.78–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ru6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-17789
- 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; K2RuO4; K-O-Ru
- OSTI Identifier:
- 1192692
- DOI:
- https://doi.org/10.17188/1192692
Citation Formats
The Materials Project. Materials Data on K2RuO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192692.
The Materials Project. Materials Data on K2RuO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192692
The Materials Project. 2020.
"Materials Data on K2RuO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192692. https://www.osti.gov/servlets/purl/1192692. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192692,
title = {Materials Data on K2RuO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2RuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with six equivalent RuO4 tetrahedra and edges with two equivalent KO6 octahedra. There are a spread of K–O bond distances ranging from 2.74–2.86 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.36 Å. Ru6+ is bonded to four O2- atoms to form RuO4 tetrahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 19–67°. There are a spread of Ru–O bond distances ranging from 1.78–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Ru6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Ru6+ atom.},
doi = {10.17188/1192692},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}