DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

(NdN2O7)2(NO3)2(O2)5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of five hydrogen peroxide molecules, two nitric acid molecules, and two NdN2O7 clusters. In each NdN2O7 cluster, Nd is bonded in a 2-coordinate geometry to one N and three O atoms. The Nd–N bond length is 2.14 Å. There are a spread of Nd–O bond distances ranging from 1.80–2.49 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 0.88–1.43 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Nd and three O atoms. There are a spread of N–O bond distances ranging from 0.91–1.85 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. 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 1-coordinate geometry to one Nd and one N atom. In the fourth O site, O is bonded in a single-bond geometrymore » to one N atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Nd and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Nd atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1211366
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; Nd(NO5)3; N-Nd-O
OSTI Identifier:
1698935
DOI:
https://doi.org/10.17188/1698935

Citation Formats

The Materials Project. Materials Data on Nd(NO5)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1698935.
The Materials Project. Materials Data on Nd(NO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1698935
The Materials Project. 2019. "Materials Data on Nd(NO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1698935. https://www.osti.gov/servlets/purl/1698935. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1698935,
title = {Materials Data on Nd(NO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(NdN2O7)2(NO3)2(O2)5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of five hydrogen peroxide molecules, two nitric acid molecules, and two NdN2O7 clusters. In each NdN2O7 cluster, Nd is bonded in a 2-coordinate geometry to one N and three O atoms. The Nd–N bond length is 2.14 Å. There are a spread of Nd–O bond distances ranging from 1.80–2.49 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 0.88–1.43 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Nd and three O atoms. There are a spread of N–O bond distances ranging from 0.91–1.85 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. 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 1-coordinate geometry to one Nd 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 bent 120 degrees geometry to one Nd and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one Nd atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1698935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}