U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbNO by Materials Project
Abstract
NbON crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to three N3- and three O2- atoms to form a mixture of distorted edge and corner-sharing NbN3O3 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are two shorter (2.05 Å) and one longer (2.17 Å) Nb–N bond lengths. There are a spread of Nb–O bond distances ranging from 1.96–2.21 Å. In the second Nb5+ site, Nb5+ is bonded to four N3- and two O2- atoms to form a mixture of distorted edge and corner-sharing NbN4O2 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are a spread of Nb–N bond distances ranging from 2.00–2.29 Å. There are one shorter (1.93 Å) and one longer (2.16 Å) Nb–O bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three Nb5+ atoms. In the second N3- site, N3- is bonded to four Nb5+ atoms to form a mixture of distorted edge and corner-sharing NNb4 trigonal pyramids. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-754495
- 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; N-Nb-O; NbNO; crystal structure
- OSTI Identifier:
- 1289445
- DOI:
- https://doi.org/10.17188/1289445
Citation Formats
Materials Data on NbNO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289445.
Materials Data on NbNO by Materials Project. United States. doi:https://doi.org/10.17188/1289445
2020.
"Materials Data on NbNO by Materials Project". United States. doi:https://doi.org/10.17188/1289445. https://www.osti.gov/servlets/purl/1289445. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1289445,
title = {Materials Data on NbNO by Materials Project},
abstractNote = {NbON crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to three N3- and three O2- atoms to form a mixture of distorted edge and corner-sharing NbN3O3 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are two shorter (2.05 Å) and one longer (2.17 Å) Nb–N bond lengths. There are a spread of Nb–O bond distances ranging from 1.96–2.21 Å. In the second Nb5+ site, Nb5+ is bonded to four N3- and two O2- atoms to form a mixture of distorted edge and corner-sharing NbN4O2 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are a spread of Nb–N bond distances ranging from 2.00–2.29 Å. There are one shorter (1.93 Å) and one longer (2.16 Å) Nb–O bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three Nb5+ atoms. In the second N3- site, N3- is bonded to four Nb5+ atoms to form a mixture of distorted edge and corner-sharing NNb4 trigonal pyramids. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ atoms.},
doi = {10.17188/1289445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}