U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ReOs3 by Materials Project
Abstract
ReOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded to twelve equivalent Os1- atoms to form ReOs12 cuboctahedra that share corners with six equivalent ReOs12 cuboctahedra, corners with twelve equivalent OsRe4Os8 cuboctahedra, edges with eighteen equivalent OsRe4Os8 cuboctahedra, faces with eight equivalent ReOs12 cuboctahedra, and faces with twelve equivalent OsRe4Os8 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.77 Å) Re–Os bond lengths. Os1- is bonded to four equivalent Re3+ and eight equivalent Os1- atoms to form distorted OsRe4Os8 cuboctahedra that share corners with four equivalent ReOs12 cuboctahedra, corners with fourteen equivalent OsRe4Os8 cuboctahedra, edges with six equivalent ReOs12 cuboctahedra, edges with twelve equivalent OsRe4Os8 cuboctahedra, faces with four equivalent ReOs12 cuboctahedra, and faces with sixteen equivalent OsRe4Os8 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.71–2.78 Å.
- Publication Date:
- Other Number(s):
- mp-867141
- 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-Re; ReOs3; crystal structure
- OSTI Identifier:
- 1311788
- DOI:
- https://doi.org/10.17188/1311788
Citation Formats
Materials Data on ReOs3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311788.
Materials Data on ReOs3 by Materials Project. United States. doi:https://doi.org/10.17188/1311788
2020.
"Materials Data on ReOs3 by Materials Project". United States. doi:https://doi.org/10.17188/1311788. https://www.osti.gov/servlets/purl/1311788. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1311788,
title = {Materials Data on ReOs3 by Materials Project},
abstractNote = {ReOs3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded to twelve equivalent Os1- atoms to form ReOs12 cuboctahedra that share corners with six equivalent ReOs12 cuboctahedra, corners with twelve equivalent OsRe4Os8 cuboctahedra, edges with eighteen equivalent OsRe4Os8 cuboctahedra, faces with eight equivalent ReOs12 cuboctahedra, and faces with twelve equivalent OsRe4Os8 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.77 Å) Re–Os bond lengths. Os1- is bonded to four equivalent Re3+ and eight equivalent Os1- atoms to form distorted OsRe4Os8 cuboctahedra that share corners with four equivalent ReOs12 cuboctahedra, corners with fourteen equivalent OsRe4Os8 cuboctahedra, edges with six equivalent ReOs12 cuboctahedra, edges with twelve equivalent OsRe4Os8 cuboctahedra, faces with four equivalent ReOs12 cuboctahedra, and faces with sixteen equivalent OsRe4Os8 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.71–2.78 Å.},
doi = {10.17188/1311788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}