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Title: Materials Data on P2N6O by Materials Project

Abstract

(N2)3(P2N3O)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve nitrogen molecules and four P2N3O clusters. In each P2N3O cluster, there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to three N+1.33- and one O2- atom. There is one shorter (1.63 Å) and two longer (1.70 Å) P–N bond length. The P–O bond length is 1.49 Å. In the second P5+ site, P5+ is bonded in a linear geometry to two N+1.33- atoms. There is one shorter (1.50 Å) and one longer (1.55 Å) P–N bond length. In the third P5+ site, P5+ is bonded in a bent 120 degrees geometry to one N+1.33- and one O2- atom. The P–N bond length is 1.59 Å. The P–O bond length is 1.48 Å. In the fourth P5+ site, P5+ is bonded in a trigonal planar geometry to three N+1.33- atoms. There is two shorter (1.56 Å) and one longer (1.60 Å) P–N bond length. There are six inequivalent N+1.33- sites. In the first N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the second N+1.33- site, N+1.33- is bonded in amore » single-bond geometry to one P5+ atom. In the third N+1.33- site, N+1.33- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the sixth N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. There are two 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 single-bond geometry to one P5+ atom.« less

Publication Date:
Other Number(s):
mp-1212791
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; P2N6O; N-O-P
OSTI Identifier:
1672864
DOI:
https://doi.org/10.17188/1672864

Citation Formats

The Materials Project. Materials Data on P2N6O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672864.
The Materials Project. Materials Data on P2N6O by Materials Project. United States. doi:https://doi.org/10.17188/1672864
The Materials Project. 2020. "Materials Data on P2N6O by Materials Project". United States. doi:https://doi.org/10.17188/1672864. https://www.osti.gov/servlets/purl/1672864. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672864,
title = {Materials Data on P2N6O by Materials Project},
author = {The Materials Project},
abstractNote = {(N2)3(P2N3O)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve nitrogen molecules and four P2N3O clusters. In each P2N3O cluster, there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to three N+1.33- and one O2- atom. There is one shorter (1.63 Å) and two longer (1.70 Å) P–N bond length. The P–O bond length is 1.49 Å. In the second P5+ site, P5+ is bonded in a linear geometry to two N+1.33- atoms. There is one shorter (1.50 Å) and one longer (1.55 Å) P–N bond length. In the third P5+ site, P5+ is bonded in a bent 120 degrees geometry to one N+1.33- and one O2- atom. The P–N bond length is 1.59 Å. The P–O bond length is 1.48 Å. In the fourth P5+ site, P5+ is bonded in a trigonal planar geometry to three N+1.33- atoms. There is two shorter (1.56 Å) and one longer (1.60 Å) P–N bond length. There are six inequivalent N+1.33- sites. In the first N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the second N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the third N+1.33- site, N+1.33- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the fourth N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fifth N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the sixth N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. There are two 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 single-bond geometry to one P5+ atom.},
doi = {10.17188/1672864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}