U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbCrO4 by Materials Project
Abstract
CrNbO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pbcn 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 six equivalent CrO6 octahedra, and an edgeedge with one CrO6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–O bond distances ranging from 1.94–2.12 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Cr–O bond distances ranging from 1.99–2.03 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 Cr3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two equivalent Cr3+ atoms.
- Publication Date:
- Other Number(s):
- mp-772660
- 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; Cr-Nb-O; NbCrO4; crystal structure
- OSTI Identifier:
- 1301398
- DOI:
- https://doi.org/10.17188/1301398
Citation Formats
Materials Data on NbCrO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301398.
Materials Data on NbCrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1301398
2020.
"Materials Data on NbCrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1301398. https://www.osti.gov/servlets/purl/1301398. Pub date:Thu Jun 04 04:00:00 UTC 2020
@article{osti_1301398,
title = {Materials Data on NbCrO4 by Materials Project},
abstractNote = {CrNbO4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pbcn 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 six equivalent CrO6 octahedra, and an edgeedge with one CrO6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–O bond distances ranging from 1.94–2.12 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent NbO6 octahedra, an edgeedge with one NbO6 octahedra, and edges with two equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Cr–O bond distances ranging from 1.99–2.03 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 Cr3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb5+ and two equivalent Cr3+ atoms.},
doi = {10.17188/1301398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}