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

Title: Materials Data on Sm2(N4O9)3 by Materials Project

Abstract

Sm2(N4O9)3 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Sm3+ is bonded to twelve O2- atoms to form corner-sharing SmO12 cuboctahedra. There are a spread of Sm–O bond distances ranging from 2.52–2.70 Å. There are three inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.91 Å. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the third 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 Sm3+ and one N4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one N4+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two N4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bondmore » geometry to two equivalent Sm3+ and one N4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Sm3+ and one N4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1212564
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; Sm2(N4O9)3; N-O-Sm
OSTI Identifier:
1758281
DOI:
https://doi.org/10.17188/1758281

Citation Formats

The Materials Project. Materials Data on Sm2(N4O9)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758281.
The Materials Project. Materials Data on Sm2(N4O9)3 by Materials Project. United States. doi:https://doi.org/10.17188/1758281
The Materials Project. 2020. "Materials Data on Sm2(N4O9)3 by Materials Project". United States. doi:https://doi.org/10.17188/1758281. https://www.osti.gov/servlets/purl/1758281. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758281,
title = {Materials Data on Sm2(N4O9)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2(N4O9)3 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Sm3+ is bonded to twelve O2- atoms to form corner-sharing SmO12 cuboctahedra. There are a spread of Sm–O bond distances ranging from 2.52–2.70 Å. There are three inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.91 Å. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.26–1.28 Å. In the third 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 Sm3+ and one N4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sm3+ and one N4+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two N4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sm3+ and one N4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Sm3+ and one N4+ atom.},
doi = {10.17188/1758281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}