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Title: Materials Data on Y2Co14Cu3 by Materials Project

Abstract

Y2Co14Cu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.94–3.17 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to fourteen Co and six equivalent Cu atoms. There are a spread of Y–Co bond distances ranging from 2.94–3.13 Å. All Y–Cu bond lengths are 3.15 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Y, ten Co, and three equivalent Cu atoms. There are a spread of Co–Co bond distances ranging from 2.27–2.68 Å. All Co–Cu bond lengths are 2.56 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two Y, eight Co, and two equivalent Cu atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.60 Å. Both Co–Cu bond lengths are 2.41 Å. In the third Co site, Co is bonded to three Y, seven Co, and two equivalent Cu atoms to form distorted CoY3Co7Cu2 cuboctahedra that share corners withmore » five equivalent CuY2Co10 cuboctahedra, corners with ten equivalent CoY3Co7Cu2 cuboctahedra, edges with three equivalent CuY2Co10 cuboctahedra, edges with five equivalent CoY3Co7Cu2 cuboctahedra, faces with two equivalent CuY2Co10 cuboctahedra, and faces with eight equivalent CoY3Co7Cu2 cuboctahedra. Both Co–Co bond lengths are 2.34 Å. Both Co–Cu bond lengths are 2.44 Å. Cu is bonded to two equivalent Y and ten Co atoms to form CuY2Co10 cuboctahedra that share corners with four equivalent CuY2Co10 cuboctahedra, corners with ten equivalent CoY3Co7Cu2 cuboctahedra, edges with six equivalent CoY3Co7Cu2 cuboctahedra, faces with four equivalent CoY3Co7Cu2 cuboctahedra, and faces with six equivalent CuY2Co10 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1199930
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; Y2Co14Cu3; Co-Cu-Y
OSTI Identifier:
1728820
DOI:
https://doi.org/10.17188/1728820

Citation Formats

The Materials Project. Materials Data on Y2Co14Cu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728820.
The Materials Project. Materials Data on Y2Co14Cu3 by Materials Project. United States. doi:https://doi.org/10.17188/1728820
The Materials Project. 2020. "Materials Data on Y2Co14Cu3 by Materials Project". United States. doi:https://doi.org/10.17188/1728820. https://www.osti.gov/servlets/purl/1728820. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1728820,
title = {Materials Data on Y2Co14Cu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Co14Cu3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.94–3.17 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to fourteen Co and six equivalent Cu atoms. There are a spread of Y–Co bond distances ranging from 2.94–3.13 Å. All Y–Cu bond lengths are 3.15 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Y, ten Co, and three equivalent Cu atoms. There are a spread of Co–Co bond distances ranging from 2.27–2.68 Å. All Co–Cu bond lengths are 2.56 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two Y, eight Co, and two equivalent Cu atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.60 Å. Both Co–Cu bond lengths are 2.41 Å. In the third Co site, Co is bonded to three Y, seven Co, and two equivalent Cu atoms to form distorted CoY3Co7Cu2 cuboctahedra that share corners with five equivalent CuY2Co10 cuboctahedra, corners with ten equivalent CoY3Co7Cu2 cuboctahedra, edges with three equivalent CuY2Co10 cuboctahedra, edges with five equivalent CoY3Co7Cu2 cuboctahedra, faces with two equivalent CuY2Co10 cuboctahedra, and faces with eight equivalent CoY3Co7Cu2 cuboctahedra. Both Co–Co bond lengths are 2.34 Å. Both Co–Cu bond lengths are 2.44 Å. Cu is bonded to two equivalent Y and ten Co atoms to form CuY2Co10 cuboctahedra that share corners with four equivalent CuY2Co10 cuboctahedra, corners with ten equivalent CoY3Co7Cu2 cuboctahedra, edges with six equivalent CoY3Co7Cu2 cuboctahedra, faces with four equivalent CoY3Co7Cu2 cuboctahedra, and faces with six equivalent CuY2Co10 cuboctahedra.},
doi = {10.17188/1728820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}