U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScOs2 by Materials Project
Abstract
ScOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Sc–Os bond distances ranging from 3.05–3.09 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Sc3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsSc6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Sc3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsSc6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.70 Å) Os–Os bond lengths.
- Publication Date:
- Other Number(s):
- mp-567612
- 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-Sc; ScOs2; crystal structure
- OSTI Identifier:
- 1273957
- DOI:
- https://doi.org/10.17188/1273957
Citation Formats
Materials Data on ScOs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273957.
Materials Data on ScOs2 by Materials Project. United States. doi:https://doi.org/10.17188/1273957
2020.
"Materials Data on ScOs2 by Materials Project". United States. doi:https://doi.org/10.17188/1273957. https://www.osti.gov/servlets/purl/1273957. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1273957,
title = {Materials Data on ScOs2 by Materials Project},
abstractNote = {ScOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Sc–Os bond distances ranging from 3.05–3.09 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Sc3+ and six equivalent Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsSc6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Sc3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsSc6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.70 Å) Os–Os bond lengths.},
doi = {10.17188/1273957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}