U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re(RhO3)2 by Materials Project
Abstract
Re(RhO3)2 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent RhO6 octahedra and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is four shorter (1.94 Å) and two longer (1.95 Å) Re–O bond length. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent ReO6 octahedra, corners with four equivalent RhO6 octahedra, an edgeedge with one ReO6 octahedra, and an edgeedge with one RhO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Rh–O bond distances ranging from 2.02–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re6+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re6+ and two equivalent Rh3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209014
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Re(RhO3)2; O-Re-Rh
- OSTI Identifier:
- 1747167
- DOI:
- https://doi.org/10.17188/1747167
Citation Formats
The Materials Project. Materials Data on Re(RhO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1747167.
The Materials Project. Materials Data on Re(RhO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1747167
The Materials Project. 2020.
"Materials Data on Re(RhO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1747167. https://www.osti.gov/servlets/purl/1747167. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1747167,
title = {Materials Data on Re(RhO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Re(RhO3)2 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with eight equivalent RhO6 octahedra and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is four shorter (1.94 Å) and two longer (1.95 Å) Re–O bond length. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent ReO6 octahedra, corners with four equivalent RhO6 octahedra, an edgeedge with one ReO6 octahedra, and an edgeedge with one RhO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Rh–O bond distances ranging from 2.02–2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re6+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re6+ and two equivalent Rh3+ atoms.},
doi = {10.17188/1747167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}