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Title: Materials Data on PNO4 by Materials Project

Abstract

PNO4 is beta Np structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four PNO4 clusters. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.55 Å. N3+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.13 Å) and one longer (1.84 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1190793
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; PNO4; N-O-P
OSTI Identifier:
1684441
DOI:
https://doi.org/10.17188/1684441

Citation Formats

The Materials Project. Materials Data on PNO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684441.
The Materials Project. Materials Data on PNO4 by Materials Project. United States. doi:https://doi.org/10.17188/1684441
The Materials Project. 2020. "Materials Data on PNO4 by Materials Project". United States. doi:https://doi.org/10.17188/1684441. https://www.osti.gov/servlets/purl/1684441. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1684441,
title = {Materials Data on PNO4 by Materials Project},
author = {The Materials Project},
abstractNote = {PNO4 is beta Np structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four PNO4 clusters. P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.55 Å. N3+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.13 Å) and one longer (1.84 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N3+ atom.},
doi = {10.17188/1684441},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}