Materials Data on NaCu3(RuO3)4 by Materials Project
Abstract
NaCu3Ru4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Na–O bond lengths are 2.66 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, two equivalent Ru5+, and one Cu1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22305
- 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; NaCu3(RuO3)4; Cu-Na-O-Ru
- OSTI Identifier:
- 1197539
- DOI:
- https://doi.org/10.17188/1197539
Citation Formats
The Materials Project. Materials Data on NaCu3(RuO3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197539.
The Materials Project. Materials Data on NaCu3(RuO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1197539
The Materials Project. 2020.
"Materials Data on NaCu3(RuO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1197539. https://www.osti.gov/servlets/purl/1197539. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1197539,
title = {Materials Data on NaCu3(RuO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCu3Ru4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Na–O bond lengths are 2.66 Å. Ru5+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.00 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded in a 3-coordinate geometry to one Na1+, two equivalent Ru5+, and one Cu1+ atom.},
doi = {10.17188/1197539},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}
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