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Title: Materials Data on CeYCo17 by Materials Project

Abstract

CeYCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to nineteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.94–3.28 Å. Y is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.98–3.19 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Ce, two equivalent Y, and nine Co atoms to form CoCeY2Co9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the third Co site, Co is bonded to two equivalent Ce, one Y, and nine Co atoms to form CoCe2YCo9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are two shorter (2.40 Å) and one longer (2.57 Å)more » Co–Co bond lengths. In the fourth Co site, Co is bonded to one Ce, one Y, and ten Co atoms to form distorted CoCeYCo10 cuboctahedra that share corners with fourteen CoCeYCo10 cuboctahedra, edges with six CoCeY2Co9 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. The Co–Co bond length is 2.37 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1226612
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; CeYCo17; Ce-Co-Y
OSTI Identifier:
1666578
DOI:
https://doi.org/10.17188/1666578

Citation Formats

The Materials Project. Materials Data on CeYCo17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666578.
The Materials Project. Materials Data on CeYCo17 by Materials Project. United States. doi:https://doi.org/10.17188/1666578
The Materials Project. 2020. "Materials Data on CeYCo17 by Materials Project". United States. doi:https://doi.org/10.17188/1666578. https://www.osti.gov/servlets/purl/1666578. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1666578,
title = {Materials Data on CeYCo17 by Materials Project},
author = {The Materials Project},
abstractNote = {CeYCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to nineteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.94–3.28 Å. Y is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.98–3.19 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Ce, two equivalent Y, and nine Co atoms to form CoCeY2Co9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the third Co site, Co is bonded to two equivalent Ce, one Y, and nine Co atoms to form CoCe2YCo9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are two shorter (2.40 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Ce, one Y, and ten Co atoms to form distorted CoCeYCo10 cuboctahedra that share corners with fourteen CoCeYCo10 cuboctahedra, edges with six CoCeY2Co9 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. The Co–Co bond length is 2.37 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms.},
doi = {10.17188/1666578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}