U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbRhO4 by Materials Project
Abstract
RhNbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–52°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Rh–O bond distances ranging from 2.00–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one Rh3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Rh3+ atoms.
- Publication Date:
- Other Number(s):
- mp-756638
- 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; Nb-O-Rh; NbRhO4; crystal structure
- OSTI Identifier:
- 1290577
- DOI:
- https://doi.org/10.17188/1290577
Citation Formats
Materials Data on NbRhO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290577.
Materials Data on NbRhO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290577
2020.
"Materials Data on NbRhO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290577. https://www.osti.gov/servlets/purl/1290577. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1290577,
title = {Materials Data on NbRhO4 by Materials Project},
abstractNote = {RhNbO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 42–52°. There are a spread of Nb–O bond distances ranging from 1.95–2.08 Å. Rh3+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with four equivalent NbO6 octahedra, corners with four equivalent RhO6 octahedra, and edges with two equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–50°. There are a spread of Rh–O bond distances ranging from 2.00–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Nb5+ and one Rh3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Nb5+ and two equivalent Rh3+ atoms.},
doi = {10.17188/1290577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}