Materials Data on NbPO5 by Materials Project
Abstract
NbOPO4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.78–2.49 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104131
- 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; NbPO5; Nb-O-P
- OSTI Identifier:
- 1746347
- DOI:
- https://doi.org/10.17188/1746347
Citation Formats
The Materials Project. Materials Data on NbPO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746347.
The Materials Project. Materials Data on NbPO5 by Materials Project. United States. doi:https://doi.org/10.17188/1746347
The Materials Project. 2020.
"Materials Data on NbPO5 by Materials Project". United States. doi:https://doi.org/10.17188/1746347. https://www.osti.gov/servlets/purl/1746347. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746347,
title = {Materials Data on NbPO5 by Materials Project},
author = {The Materials Project},
abstractNote = {NbOPO4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.78–2.49 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+ and one P5+ atom.},
doi = {10.17188/1746347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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