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Title: Materials Data on CeCo3 by Materials Project

Abstract

CeCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.82 Å) and twelve longer (3.17 Å) Ce–Co bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ce–Co bond distances ranging from 2.86–3.19 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Ce and six equivalent Co atoms to form CoCe6Co6 cuboctahedra that share corners with twelve equivalent CoCe5Co7 cuboctahedra, edges with six equivalent CoCe6Co6 cuboctahedra, and faces with eighteen equivalent CoCe5Co7 cuboctahedra. All Co–Co bond lengths are 2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.45–2.82 Å. In the third Co site, Co is bonded to five Ce and seven Co atoms to form CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight equivalent CoCe5Co7 cuboctahedra, and faces withmore » fourteen CoCe6Co6 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Co–Co bond lengths.« less

Publication Date:
Other Number(s):
mp-570872
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; CeCo3; Ce-Co
OSTI Identifier:
1275952
DOI:
https://doi.org/10.17188/1275952

Citation Formats

The Materials Project. Materials Data on CeCo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275952.
The Materials Project. Materials Data on CeCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1275952
The Materials Project. 2020. "Materials Data on CeCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1275952. https://www.osti.gov/servlets/purl/1275952. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275952,
title = {Materials Data on CeCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.82 Å) and twelve longer (3.17 Å) Ce–Co bond lengths. In the second Ce site, Ce is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Ce–Co bond distances ranging from 2.86–3.19 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Ce and six equivalent Co atoms to form CoCe6Co6 cuboctahedra that share corners with twelve equivalent CoCe5Co7 cuboctahedra, edges with six equivalent CoCe6Co6 cuboctahedra, and faces with eighteen equivalent CoCe5Co7 cuboctahedra. All Co–Co bond lengths are 2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ce and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.45–2.82 Å. In the third Co site, Co is bonded to five Ce and seven Co atoms to form CoCe5Co7 cuboctahedra that share corners with seventeen CoCe6Co6 cuboctahedra, edges with eight equivalent CoCe5Co7 cuboctahedra, and faces with fourteen CoCe6Co6 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Co–Co bond lengths.},
doi = {10.17188/1275952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}