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Title: Materials Data on Pr2(N4O9)3 by Materials Project

Abstract

(Pr2(NO3)9)2(N2)3 crystallizes in the cubic P4_132 space group. The structure is three-dimensional and consists of twelve ammonia molecules and one Pr2(NO3)9 framework. In the Pr2(NO3)9 framework, Pr3+ is bonded to twelve O2- atoms to form corner-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.61–2.69 Å. There are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one N4+more » atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom.« less

Publication Date:
Other Number(s):
mp-1211204
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; Pr2(N4O9)3; N-O-Pr
OSTI Identifier:
1743976
DOI:
https://doi.org/10.17188/1743976

Citation Formats

The Materials Project. Materials Data on Pr2(N4O9)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1743976.
The Materials Project. Materials Data on Pr2(N4O9)3 by Materials Project. United States. doi:https://doi.org/10.17188/1743976
The Materials Project. 2019. "Materials Data on Pr2(N4O9)3 by Materials Project". United States. doi:https://doi.org/10.17188/1743976. https://www.osti.gov/servlets/purl/1743976. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1743976,
title = {Materials Data on Pr2(N4O9)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(Pr2(NO3)9)2(N2)3 crystallizes in the cubic P4_132 space group. The structure is three-dimensional and consists of twelve ammonia molecules and one Pr2(NO3)9 framework. In the Pr2(NO3)9 framework, Pr3+ is bonded to twelve O2- atoms to form corner-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.61–2.69 Å. There are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one N4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom.},
doi = {10.17188/1743976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}