U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScSi2Rh by Materials Project
Abstract
ScRhSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to five equivalent Rh and seven Si atoms. There are a spread of Sc–Rh bond distances ranging from 2.87–3.12 Å. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. Rh is bonded in a 12-coordinate geometry to five equivalent Sc and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Rh, and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, three equivalent Rh, and three equivalent Si atoms.
- Publication Date:
- Other Number(s):
- mp-22307
- 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; Rh-Sc-Si; ScSi2Rh; crystal structure
- OSTI Identifier:
- 1197541
- DOI:
- https://doi.org/10.17188/1197541
Citation Formats
Materials Data on ScSi2Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197541.
Materials Data on ScSi2Rh by Materials Project. United States. doi:https://doi.org/10.17188/1197541
2020.
"Materials Data on ScSi2Rh by Materials Project". United States. doi:https://doi.org/10.17188/1197541. https://www.osti.gov/servlets/purl/1197541. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1197541,
title = {Materials Data on ScSi2Rh by Materials Project},
abstractNote = {ScRhSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to five equivalent Rh and seven Si atoms. There are a spread of Sc–Rh bond distances ranging from 2.87–3.12 Å. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. Rh is bonded in a 12-coordinate geometry to five equivalent Sc and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.55 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Sc, two equivalent Rh, and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sc, three equivalent Rh, and three equivalent Si atoms.},
doi = {10.17188/1197541},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}