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Title: 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.

Publication Date:
Other Number(s):
mp-22305
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; NaCu3(RuO3)4; Cu-Na-O-Ru
OSTI Identifier:
1197539
DOI:
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:10.17188/1197539.
The Materials Project. 2020. "Materials Data on NaCu3(RuO3)4 by Materials Project". United States. doi: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 = {2020},
month = {7}
}

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