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

Title: Materials Data on Na4P2NO16 by Materials Project

Abstract

Na4P2NO14O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Na4P2NO14 framework. In the Na4P2NO14 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.58 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to one N and six O atoms. The Na–N bond length is 2.58 Å. There are a spread of Na–O bond distances ranging from 2.37–2.99 Å. P is bonded to one N and three O atoms to form corner-sharing PNO3 tetrahedra. The P–N bond length is 1.70 Å. There are a spread of P–O bond distances ranging from 1.50–1.57 Å. N is bonded in a 2-coordinate geometry to two equivalent Na and two equivalent P atoms. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one P atom. In the thirdmore » O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one O atom. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Na and one O atom. In the seventh O site, O is bonded to three Na and one P atom to form distorted edge-sharing ONa3P tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1182073
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; Na4P2NO16; N-Na-O-P
OSTI Identifier:
1741800
DOI:
https://doi.org/10.17188/1741800

Citation Formats

The Materials Project. Materials Data on Na4P2NO16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741800.
The Materials Project. Materials Data on Na4P2NO16 by Materials Project. United States. doi:https://doi.org/10.17188/1741800
The Materials Project. 2020. "Materials Data on Na4P2NO16 by Materials Project". United States. doi:https://doi.org/10.17188/1741800. https://www.osti.gov/servlets/purl/1741800. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1741800,
title = {Materials Data on Na4P2NO16 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4P2NO14O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four hydrogen peroxide molecules and one Na4P2NO14 framework. In the Na4P2NO14 framework, there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Na–O bond distances ranging from 2.26–2.58 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to one N and six O atoms. The Na–N bond length is 2.58 Å. There are a spread of Na–O bond distances ranging from 2.37–2.99 Å. P is bonded to one N and three O atoms to form corner-sharing PNO3 tetrahedra. The P–N bond length is 1.70 Å. There are a spread of P–O bond distances ranging from 1.50–1.57 Å. N is bonded in a 2-coordinate geometry to two equivalent Na and two equivalent P atoms. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one P atom. In the third O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Na and one O atom. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Na and one O atom. In the seventh O site, O is bonded to three Na and one P atom to form distorted edge-sharing ONa3P tetrahedra.},
doi = {10.17188/1741800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}