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Title: Materials Data on Ce2Cu(NO)2 by Materials Project

Abstract

Ce2Cu(NO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to four equivalent N3- and four equivalent O2- atoms. All Ce–N bond lengths are 2.30 Å. All Ce–O bond lengths are 2.68 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. N3- is bonded to four equivalent Ce4+ atoms to form NCe4 tetrahedra that share corners with twelve equivalent OCe4Cu2 octahedra, corners with four equivalent NCe4 tetrahedra, edges with two equivalent OCe4Cu2 octahedra, and edges with four equivalent NCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–69°. O2- is bonded to four equivalent Ce4+ and two equivalent Cu2+ atoms to form distorted OCe4Cu2 octahedra that share corners with two equivalent OCe4Cu2 octahedra, corners with twelve equivalent NCe4 tetrahedra, edges with two equivalent OCe4Cu2 octahedra, edges with two equivalent NCe4 tetrahedra, and faces with four equivalent OCe4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1022723
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; Ce2Cu(NO)2; Ce-Cu-N-O
OSTI Identifier:
1354989
DOI:
https://doi.org/10.17188/1354989

Citation Formats

The Materials Project. Materials Data on Ce2Cu(NO)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1354989.
The Materials Project. Materials Data on Ce2Cu(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1354989
The Materials Project. 2017. "Materials Data on Ce2Cu(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1354989. https://www.osti.gov/servlets/purl/1354989. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1354989,
title = {Materials Data on Ce2Cu(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce2Cu(NO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce4+ is bonded in a body-centered cubic geometry to four equivalent N3- and four equivalent O2- atoms. All Ce–N bond lengths are 2.30 Å. All Ce–O bond lengths are 2.68 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. N3- is bonded to four equivalent Ce4+ atoms to form NCe4 tetrahedra that share corners with twelve equivalent OCe4Cu2 octahedra, corners with four equivalent NCe4 tetrahedra, edges with two equivalent OCe4Cu2 octahedra, and edges with four equivalent NCe4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–69°. O2- is bonded to four equivalent Ce4+ and two equivalent Cu2+ atoms to form distorted OCe4Cu2 octahedra that share corners with two equivalent OCe4Cu2 octahedra, corners with twelve equivalent NCe4 tetrahedra, edges with two equivalent OCe4Cu2 octahedra, edges with two equivalent NCe4 tetrahedra, and faces with four equivalent OCe4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1354989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}