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

Abstract

(DyN2O9)2(NO3)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, two trioxidane molecules, and two DyN2O9 clusters. In each DyN2O9 cluster, Dy is bonded in a 1-coordinate geometry to one N and three O atoms. The Dy–N bond length is 2.17 Å. There are a spread of Dy–O bond distances ranging from 1.60–2.51 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 0.99–1.44 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Dy and three O atoms. There are a spread of N–O bond distances ranging from 0.92–1.83 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.99 Å) O–O bond length. 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 single-bond geometry to one Dy and onemore » O 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 single-bond geometry to one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Dy and one N atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Dy and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1199424
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; Dy(NO5)3; Dy-N-O
OSTI Identifier:
1718389
DOI:
https://doi.org/10.17188/1718389

Citation Formats

The Materials Project. Materials Data on Dy(NO5)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1718389.
The Materials Project. Materials Data on Dy(NO5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1718389
The Materials Project. 2019. "Materials Data on Dy(NO5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1718389. https://www.osti.gov/servlets/purl/1718389. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1718389,
title = {Materials Data on Dy(NO5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(DyN2O9)2(NO3)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitric acid molecules, two trioxidane molecules, and two DyN2O9 clusters. In each DyN2O9 cluster, Dy is bonded in a 1-coordinate geometry to one N and three O atoms. The Dy–N bond length is 2.17 Å. There are a spread of Dy–O bond distances ranging from 1.60–2.51 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 0.99–1.44 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Dy and three O atoms. There are a spread of N–O bond distances ranging from 0.92–1.83 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.99 Å) O–O bond length. 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 single-bond geometry to one Dy and one O 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 single-bond geometry to one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Dy and one N atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Dy and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1718389},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}