U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbH8N2O2F5 by Materials Project
Abstract
NbOF5(NH3)2H2O crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four water molecules, and four NbOF5 clusters. In each NbOF5 cluster, Nb5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The Nb–O bond length is 1.79 Å. There are a spread of Nb–F bond distances ranging from 1.96–2.26 Å. O2- is bonded in a single-bond geometry to one Nb5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.
- Publication Date:
- Other Number(s):
- mp-850868
- 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; F-H-N-Nb-O; NbH8N2O2F5; crystal structure
- OSTI Identifier:
- 1308790
- DOI:
- https://doi.org/10.17188/1308790
Citation Formats
Materials Data on NbH8N2O2F5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308790.
Materials Data on NbH8N2O2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1308790
2020.
"Materials Data on NbH8N2O2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1308790. https://www.osti.gov/servlets/purl/1308790. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1308790,
title = {Materials Data on NbH8N2O2F5 by Materials Project},
abstractNote = {NbOF5(NH3)2H2O crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four water molecules, and four NbOF5 clusters. In each NbOF5 cluster, Nb5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The Nb–O bond length is 1.79 Å. There are a spread of Nb–F bond distances ranging from 1.96–2.26 Å. O2- is bonded in a single-bond geometry to one Nb5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.},
doi = {10.17188/1308790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.