U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsPRh4 by Materials Project
Abstract
Rh4AsP is half-Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to one As and three equivalent P atoms to form a mixture of distorted corner and edge-sharing RhAsP3 tetrahedra. The Rh–As bond length is 2.52 Å. All Rh–P bond lengths are 2.43 Å. In the second Rh site, Rh is bonded to three equivalent As and one P atom to form a mixture of distorted corner and edge-sharing RhAs3P tetrahedra. All Rh–As bond lengths are 2.47 Å. The Rh–P bond length is 2.39 Å. As is bonded in a body-centered cubic geometry to eight Rh atoms. P is bonded in a body-centered cubic geometry to eight Rh atoms.
- Publication Date:
- Other Number(s):
- mp-1228758
- 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; As-P-Rh; AsPRh4; crystal structure
- OSTI Identifier:
- 1699798
- DOI:
- https://doi.org/10.17188/1699798
Citation Formats
Materials Data on AsPRh4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699798.
Materials Data on AsPRh4 by Materials Project. United States. doi:https://doi.org/10.17188/1699798
2020.
"Materials Data on AsPRh4 by Materials Project". United States. doi:https://doi.org/10.17188/1699798. https://www.osti.gov/servlets/purl/1699798. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1699798,
title = {Materials Data on AsPRh4 by Materials Project},
abstractNote = {Rh4AsP is half-Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to one As and three equivalent P atoms to form a mixture of distorted corner and edge-sharing RhAsP3 tetrahedra. The Rh–As bond length is 2.52 Å. All Rh–P bond lengths are 2.43 Å. In the second Rh site, Rh is bonded to three equivalent As and one P atom to form a mixture of distorted corner and edge-sharing RhAs3P tetrahedra. All Rh–As bond lengths are 2.47 Å. The Rh–P bond length is 2.39 Å. As is bonded in a body-centered cubic geometry to eight Rh atoms. P is bonded in a body-centered cubic geometry to eight Rh atoms.},
doi = {10.17188/1699798},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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