Materials Data on NaPO3 by Materials Project
Abstract
NaPO3 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.52 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent P5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-648072
- 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; NaPO3; Na-O-P
- OSTI Identifier:
- 1280796
- DOI:
- https://doi.org/10.17188/1280796
Citation Formats
The Materials Project. Materials Data on NaPO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280796.
The Materials Project. Materials Data on NaPO3 by Materials Project. United States. doi:https://doi.org/10.17188/1280796
The Materials Project. 2020.
"Materials Data on NaPO3 by Materials Project". United States. doi:https://doi.org/10.17188/1280796. https://www.osti.gov/servlets/purl/1280796. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280796,
title = {Materials Data on NaPO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaPO3 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.52 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent P5+ atoms.},
doi = {10.17188/1280796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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