U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KRuN2 by Materials Project
Abstract
KRuN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.84 Å) and two longer (2.87 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 2.90–3.46 Å. There are two inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is two shorter (1.87 Å) and two longer (1.88 Å) Ru–N bond length. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There are a spread of Ru–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two equivalent Ru5+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinatemore »
- Publication Date:
- Other Number(s):
- mp-1029978
- 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; K-N-Ru; KRuN2; crystal structure
- OSTI Identifier:
- 1751200
- DOI:
- https://doi.org/10.17188/1751200
Citation Formats
Materials Data on KRuN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751200.
Materials Data on KRuN2 by Materials Project. United States. doi:https://doi.org/10.17188/1751200
2020.
"Materials Data on KRuN2 by Materials Project". United States. doi:https://doi.org/10.17188/1751200. https://www.osti.gov/servlets/purl/1751200. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1751200,
title = {Materials Data on KRuN2 by Materials Project},
abstractNote = {KRuN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.84 Å) and two longer (2.87 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 2.90–3.46 Å. There are two inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There is two shorter (1.87 Å) and two longer (1.88 Å) Ru–N bond length. In the second Ru5+ site, Ru5+ is bonded to four N3- atoms to form corner-sharing RuN4 tetrahedra. There are a spread of Ru–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two equivalent Ru5+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two Ru5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent K1+ and two Ru5+ atoms. In the fourth N3- site, N3- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Ru5+ atoms.},
doi = {10.17188/1751200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}