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Title: Materials Data on P2N3O8 by Materials Project

Abstract

(N2)2(PO3N)2(PO2)2(O2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 6303-21-5 molecules, eight ammonia molecules, four trioxidane molecules, and four PO3N clusters. In each PO3N cluster, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. N2+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (2.12 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.

Publication Date:
Other Number(s):
mp-1210601
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; P2N3O8; N-O-P
OSTI Identifier:
1729588
DOI:
https://doi.org/10.17188/1729588

Citation Formats

The Materials Project. Materials Data on P2N3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729588.
The Materials Project. Materials Data on P2N3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1729588
The Materials Project. 2020. "Materials Data on P2N3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1729588. https://www.osti.gov/servlets/purl/1729588. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1729588,
title = {Materials Data on P2N3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {(N2)2(PO3N)2(PO2)2(O2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 6303-21-5 molecules, eight ammonia molecules, four trioxidane molecules, and four PO3N clusters. In each PO3N cluster, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. N2+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (2.12 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1729588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}