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Title: Materials Data on Dy2Co17 by Materials Project

Abstract

Dy2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Dy–Co bond distances ranging from 2.90–3.14 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Dy–Co bond distances ranging from 2.95–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two Dy and ten Co atoms to form a mixture of distorted edge, corner, and face-sharing CoDy2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Dy and ten Co atoms to form CoDy2Co10 cuboctahedra that share corners with twenty-two CoDy3Co9 cuboctahedra, edges with ten CoDy3Co9 cuboctahedra, and faces with eighteen CoDy2Co10 cuboctahedra. There are four shorter (2.40 Å) and two longer (2.55 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 2-coordinate geometry to one Dy and thirteen Co atoms. There are one shorter (2.31 Å) and three longer (2.61more » Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three Dy and nine Co atoms to form distorted CoDy3Co9 cuboctahedra that share corners with twenty-three CoDy3Co9 cuboctahedra, edges with ten CoDy3Co9 cuboctahedra, and faces with twenty CoDy2Co10 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.« less

Publication Date:
Other Number(s):
mp-569638
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; Dy2Co17; Co-Dy
OSTI Identifier:
1275191
DOI:
10.17188/1275191

Citation Formats

The Materials Project. Materials Data on Dy2Co17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275191.
The Materials Project. Materials Data on Dy2Co17 by Materials Project. United States. doi:10.17188/1275191.
The Materials Project. 2020. "Materials Data on Dy2Co17 by Materials Project". United States. doi:10.17188/1275191. https://www.osti.gov/servlets/purl/1275191. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1275191,
title = {Materials Data on Dy2Co17 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Dy–Co bond distances ranging from 2.90–3.14 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Dy–Co bond distances ranging from 2.95–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two Dy and ten Co atoms to form a mixture of distorted edge, corner, and face-sharing CoDy2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Dy and ten Co atoms to form CoDy2Co10 cuboctahedra that share corners with twenty-two CoDy3Co9 cuboctahedra, edges with ten CoDy3Co9 cuboctahedra, and faces with eighteen CoDy2Co10 cuboctahedra. There are four shorter (2.40 Å) and two longer (2.55 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 2-coordinate geometry to one Dy and thirteen Co atoms. There are one shorter (2.31 Å) and three longer (2.61 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to three Dy and nine Co atoms to form distorted CoDy3Co9 cuboctahedra that share corners with twenty-three CoDy3Co9 cuboctahedra, edges with ten CoDy3Co9 cuboctahedra, and faces with twenty CoDy2Co10 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.},
doi = {10.17188/1275191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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