U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb2O5 by Materials Project
Abstract
Nb2O5 is Potassium Silver Cyanide-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–32°. There are a spread of Nb–O bond distances ranging from 1.80–2.37 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–16°. There are a spread of Nb–O bond distances ranging from 1.93–2.17 Å. In the third Nb5+ site, Nb5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.49 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-556048
- 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; Nb2O5; Nb-O
- OSTI Identifier:
- 1269138
- DOI:
- https://doi.org/10.17188/1269138
Citation Formats
The Materials Project. Materials Data on Nb2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269138.
The Materials Project. Materials Data on Nb2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1269138
The Materials Project. 2020.
"Materials Data on Nb2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1269138. https://www.osti.gov/servlets/purl/1269138. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269138,
title = {Materials Data on Nb2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2O5 is Potassium Silver Cyanide-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–32°. There are a spread of Nb–O bond distances ranging from 1.80–2.37 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–16°. There are a spread of Nb–O bond distances ranging from 1.93–2.17 Å. In the third Nb5+ site, Nb5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.49 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Nb5+ atoms.},
doi = {10.17188/1269138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}