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Title: Materials Data on Pr(NO5)3 by Materials Project

Abstract

Pr(NO4)2NO3(O2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules, two nitric acid molecules, and two Pr(NO4)2 clusters. In each Pr(NO4)2 cluster, Pr is bonded in a 1-coordinate geometry to one N and four O atoms. The Pr–N bond length is 2.10 Å. There are a spread of Pr–O bond distances ranging from 1.91–2.92 Å. There are two inequivalent N sites. In the first N site, N is bonded in a 3-coordinate geometry to three O atoms. There are a spread of N–O bond distances ranging from 0.89–1.46 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Pr and three O atoms. There are a spread of N–O bond distances ranging from 0.88–1.83 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Pr and one O atom. The O–O bond length is 0.99 Å. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and onemore » N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Pr and one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Pr and one O atom.« less

Publication Date:
Other Number(s):
mp-1006616
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; Pr(NO5)3; N-O-Pr
OSTI Identifier:
1318243
DOI:
10.17188/1318243

Citation Formats

The Materials Project. Materials Data on Pr(NO5)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1318243.
The Materials Project. Materials Data on Pr(NO5)3 by Materials Project. United States. doi:10.17188/1318243.
The Materials Project. 2019. "Materials Data on Pr(NO5)3 by Materials Project". United States. doi:10.17188/1318243. https://www.osti.gov/servlets/purl/1318243. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1318243,
title = {Materials Data on Pr(NO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(NO4)2NO3(O2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules, two nitric acid molecules, and two Pr(NO4)2 clusters. In each Pr(NO4)2 cluster, Pr is bonded in a 1-coordinate geometry to one N and four O atoms. The Pr–N bond length is 2.10 Å. There are a spread of Pr–O bond distances ranging from 1.91–2.92 Å. There are two inequivalent N sites. In the first N site, N is bonded in a 3-coordinate geometry to three O atoms. There are a spread of N–O bond distances ranging from 0.89–1.46 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Pr and three O atoms. There are a spread of N–O bond distances ranging from 0.88–1.83 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Pr and one O atom. The O–O bond length is 0.99 Å. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Pr and one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Pr and one O atom.},
doi = {10.17188/1318243},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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