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Title: Materials Data on DyCo3 by Materials Project

Abstract

DyCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Dy–Co bond distances ranging from 2.86–3.10 Å. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Dy–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Dy and seven Co atoms to form CoDy5Co7 cuboctahedra that share corners with seventeen CoDy6Co6 cuboctahedra, edges with eight equivalent CoDy5Co7 cuboctahedra, and faces with fourteen CoDy5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.54 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Dy and six equivalent Co atoms to form CoDy6Co6 cuboctahedra that share corners with twelve equivalent CoDy5Co7 cuboctahedra, edges with six equivalent CoDy6Co6 cuboctahedra, and faces with eighteen equivalent CoDy5Co7 cuboctahedra.

Publication Date:
Other Number(s):
mp-568945
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; DyCo3; Co-Dy
OSTI Identifier:
1274839
DOI:
10.17188/1274839

Citation Formats

The Materials Project. Materials Data on DyCo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274839.
The Materials Project. Materials Data on DyCo3 by Materials Project. United States. doi:10.17188/1274839.
The Materials Project. 2020. "Materials Data on DyCo3 by Materials Project". United States. doi:10.17188/1274839. https://www.osti.gov/servlets/purl/1274839. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274839,
title = {Materials Data on DyCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Dy–Co bond distances ranging from 2.86–3.10 Å. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Dy–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Dy and seven Co atoms to form CoDy5Co7 cuboctahedra that share corners with seventeen CoDy6Co6 cuboctahedra, edges with eight equivalent CoDy5Co7 cuboctahedra, and faces with fourteen CoDy5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.54 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Dy and six equivalent Co atoms to form CoDy6Co6 cuboctahedra that share corners with twelve equivalent CoDy5Co7 cuboctahedra, edges with six equivalent CoDy6Co6 cuboctahedra, and faces with eighteen equivalent CoDy5Co7 cuboctahedra.},
doi = {10.17188/1274839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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