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Title: Materials Data on NdCu3(RuO3)4 by Materials Project

Abstract

NdCu3Ru4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Nd–O bond lengths are 2.63 Å. Ru+4.50+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.02 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. O2- is bonded in a 4-coordinate geometry to one Nd3+, two equivalent Ru+4.50+, and one Cu1+ atom.

Publication Date:
Other Number(s):
mp-22666
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; NdCu3(RuO3)4; Cu-Nd-O-Ru
OSTI Identifier:
1198877
DOI:
10.17188/1198877

Citation Formats

The Materials Project. Materials Data on NdCu3(RuO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198877.
The Materials Project. Materials Data on NdCu3(RuO3)4 by Materials Project. United States. doi:10.17188/1198877.
The Materials Project. 2020. "Materials Data on NdCu3(RuO3)4 by Materials Project". United States. doi:10.17188/1198877. https://www.osti.gov/servlets/purl/1198877. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198877,
title = {Materials Data on NdCu3(RuO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCu3Ru4O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent RuO6 octahedra. All Nd–O bond lengths are 2.63 Å. Ru+4.50+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 42°. All Ru–O bond lengths are 2.02 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. O2- is bonded in a 4-coordinate geometry to one Nd3+, two equivalent Ru+4.50+, and one Cu1+ atom.},
doi = {10.17188/1198877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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