U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc(P2Rh3)2 by Materials Project
Abstract
Sc(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing ScP6Rh6 cuboctahedra. All Sc–Rh bond lengths are 2.98 Å. All Sc–P bond lengths are 2.92 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.59 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are a spread of Rh–P bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Rh atoms.
- Publication Date:
- Other Number(s):
- mp-1102147
- 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; P-Rh-Sc; Sc(P2Rh3)2; crystal structure
- OSTI Identifier:
- 1740272
- DOI:
- https://doi.org/10.17188/1740272
Citation Formats
Materials Data on Sc(P2Rh3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740272.
Materials Data on Sc(P2Rh3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740272
2020.
"Materials Data on Sc(P2Rh3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740272. https://www.osti.gov/servlets/purl/1740272. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740272,
title = {Materials Data on Sc(P2Rh3)2 by Materials Project},
abstractNote = {Sc(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing ScP6Rh6 cuboctahedra. All Sc–Rh bond lengths are 2.98 Å. All Sc–P bond lengths are 2.92 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.59 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are a spread of Rh–P bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Rh atoms.},
doi = {10.17188/1740272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}