U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbO2 by Materials Project
Abstract
NbO2 is zeta iron carbide-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–57°. There are a spread of Nb–O bond distances ranging from 1.95–2.22 Å. In the second Nb4+ site, Nb4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–57°. There are a spread of Nb–O bond distances ranging from 1.95–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-821
- 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; NbO2; Nb-O
- OSTI Identifier:
- 1307966
- DOI:
- https://doi.org/10.17188/1307966
Citation Formats
The Materials Project. Materials Data on NbO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307966.
The Materials Project. Materials Data on NbO2 by Materials Project. United States. doi:https://doi.org/10.17188/1307966
The Materials Project. 2020.
"Materials Data on NbO2 by Materials Project". United States. doi:https://doi.org/10.17188/1307966. https://www.osti.gov/servlets/purl/1307966. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1307966,
title = {Materials Data on NbO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbO2 is zeta iron carbide-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–57°. There are a spread of Nb–O bond distances ranging from 1.95–2.22 Å. In the second Nb4+ site, Nb4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–57°. There are a spread of Nb–O bond distances ranging from 1.95–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb4+ atoms.},
doi = {10.17188/1307966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}