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Title: Materials Data on P(NO2)2 by Materials Project

Abstract

PO3NNO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four PO3N clusters. In each PO3N cluster, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.46–1.65 Å. N+1.50+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.33 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1210612
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; P(NO2)2; N-O-P
OSTI Identifier:
1732425
DOI:
https://doi.org/10.17188/1732425

Citation Formats

The Materials Project. Materials Data on P(NO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732425.
The Materials Project. Materials Data on P(NO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732425
The Materials Project. 2020. "Materials Data on P(NO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732425. https://www.osti.gov/servlets/purl/1732425. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1732425,
title = {Materials Data on P(NO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PO3NNO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four PO3N clusters. In each PO3N cluster, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.46–1.65 Å. N+1.50+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.33 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1732425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}