U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrOs2 by Materials Project
Abstract
ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Zr–Os bond distances ranging from 3.06–3.09 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Zr4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os2- site, Os2- is bonded to six equivalent Zr4+ and six Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Os–Os bond lengths.
- Publication Date:
- Other Number(s):
- mp-570684
- 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; Os-Zr; ZrOs2; crystal structure
- OSTI Identifier:
- 1275854
- DOI:
- https://doi.org/10.17188/1275854
Citation Formats
Materials Data on ZrOs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275854.
Materials Data on ZrOs2 by Materials Project. United States. doi:https://doi.org/10.17188/1275854
2020.
"Materials Data on ZrOs2 by Materials Project". United States. doi:https://doi.org/10.17188/1275854. https://www.osti.gov/servlets/purl/1275854. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1275854,
title = {Materials Data on ZrOs2 by Materials Project},
abstractNote = {ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Zr–Os bond distances ranging from 3.06–3.09 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Zr4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os2- site, Os2- is bonded to six equivalent Zr4+ and six Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Os–Os bond lengths.},
doi = {10.17188/1275854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.