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Title: Materials Data on PrNO5 by Materials Project

Abstract

PrNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one PrNO5 sheet oriented in the (0, 0, 1) direction. Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.58 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Pr atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Pr atoms. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent 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 water-like geometry to one Pr and one N atom.

Authors:
Publication Date:
Other Number(s):
mp-1105125
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; PrNO5; N-O-Pr
OSTI Identifier:
1711827
DOI:
https://doi.org/10.17188/1711827

Citation Formats

The Materials Project. Materials Data on PrNO5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1711827.
The Materials Project. Materials Data on PrNO5 by Materials Project. United States. doi:https://doi.org/10.17188/1711827
The Materials Project. 2018. "Materials Data on PrNO5 by Materials Project". United States. doi:https://doi.org/10.17188/1711827. https://www.osti.gov/servlets/purl/1711827. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1711827,
title = {Materials Data on PrNO5 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one PrNO5 sheet oriented in the (0, 0, 1) direction. Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.58 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Pr atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Pr atoms. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent 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 water-like geometry to one Pr and one N atom.},
doi = {10.17188/1711827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}