skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.98 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 three equivalent Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent P5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-648053
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaPO3; Na-O-P
OSTI Identifier:
1280794
DOI:
10.17188/1280794

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaPO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280794.
Persson, Kristin, & Project, Materials. Materials Data on NaPO3 by Materials Project. United States. doi:10.17188/1280794.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaPO3 by Materials Project". United States. doi:10.17188/1280794. https://www.osti.gov/servlets/purl/1280794. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280794,
title = {Materials Data on NaPO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaPO3 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.98 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 three equivalent Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent P5+ atoms.},
doi = {10.17188/1280794},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: