U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P2Rh by Materials Project
Abstract
RhP2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six P2- atoms to form RhP6 octahedra that share corners with eight equivalent RhP6 octahedra, corners with six PPRh3 tetrahedra, and edges with two equivalent RhP6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Rh–P bond distances ranging from 2.34–2.43 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to three equivalent Rh4+ and one P2- atom to form PPRh3 tetrahedra that share corners with three equivalent RhP6 octahedra, corners with thirteen PPRh3 tetrahedra, and an edgeedge with one PPRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–70°. The P–P bond length is 2.23 Å. In the second P2- site, P2- is bonded to three equivalent Rh4+ and one P2- atom to form PPRh3 tetrahedra that share corners with three equivalent RhP6 octahedra, corners with thirteen PPRh3 tetrahedra, and an edgeedge with one PPRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.
- Publication Date:
- Other Number(s):
- mp-15953
- 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; P2Rh; crystal structure
- OSTI Identifier:
- 1191468
- DOI:
- https://doi.org/10.17188/1191468
Citation Formats
Materials Data on P2Rh by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191468.
Materials Data on P2Rh by Materials Project. United States. doi:https://doi.org/10.17188/1191468
2020.
"Materials Data on P2Rh by Materials Project". United States. doi:https://doi.org/10.17188/1191468. https://www.osti.gov/servlets/purl/1191468. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191468,
title = {Materials Data on P2Rh by Materials Project},
abstractNote = {RhP2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh4+ is bonded to six P2- atoms to form RhP6 octahedra that share corners with eight equivalent RhP6 octahedra, corners with six PPRh3 tetrahedra, and edges with two equivalent RhP6 octahedra. The corner-sharing octahedra tilt angles range from 56–61°. There are a spread of Rh–P bond distances ranging from 2.34–2.43 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded to three equivalent Rh4+ and one P2- atom to form PPRh3 tetrahedra that share corners with three equivalent RhP6 octahedra, corners with thirteen PPRh3 tetrahedra, and an edgeedge with one PPRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 68–70°. The P–P bond length is 2.23 Å. In the second P2- site, P2- is bonded to three equivalent Rh4+ and one P2- atom to form PPRh3 tetrahedra that share corners with three equivalent RhP6 octahedra, corners with thirteen PPRh3 tetrahedra, and an edgeedge with one PPRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.},
doi = {10.17188/1191468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}