U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu3RuN by Materials Project
Abstract
RuCu3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Cu atoms to form RuCu12 cuboctahedra that share corners with twelve equivalent RuCu12 cuboctahedra, faces with six equivalent RuCu12 cuboctahedra, and faces with eight equivalent NCu6 octahedra. All Ru–Cu bond lengths are 2.74 Å. Cu is bonded in a linear geometry to four equivalent Ru and two equivalent N atoms. Both Cu–N bond lengths are 1.94 Å. N is bonded to six equivalent Cu atoms to form NCu6 octahedra that share corners with six equivalent NCu6 octahedra and faces with eight equivalent RuCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1207091
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-N-Ru; Cu3RuN; crystal structure
- OSTI Identifier:
- 1738218
- DOI:
- https://doi.org/10.17188/1738218
Citation Formats
Materials Data on Cu3RuN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738218.
Materials Data on Cu3RuN by Materials Project. United States. doi:https://doi.org/10.17188/1738218
2020.
"Materials Data on Cu3RuN by Materials Project". United States. doi:https://doi.org/10.17188/1738218. https://www.osti.gov/servlets/purl/1738218. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1738218,
title = {Materials Data on Cu3RuN by Materials Project},
abstractNote = {RuCu3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Cu atoms to form RuCu12 cuboctahedra that share corners with twelve equivalent RuCu12 cuboctahedra, faces with six equivalent RuCu12 cuboctahedra, and faces with eight equivalent NCu6 octahedra. All Ru–Cu bond lengths are 2.74 Å. Cu is bonded in a linear geometry to four equivalent Ru and two equivalent N atoms. Both Cu–N bond lengths are 1.94 Å. N is bonded to six equivalent Cu atoms to form NCu6 octahedra that share corners with six equivalent NCu6 octahedra and faces with eight equivalent RuCu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1738218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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