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Title: Materials Data on YbCo3 by Materials Project

Abstract

YbCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Yb–Co bond distances ranging from 2.88–3.01 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.17 Å) Yb–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Yb and seven Co atoms to form a mixture of corner, edge, and face-sharing CoYb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.50 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Yb and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Yb and six equivalent Co atoms to form CoYb6Co6 cuboctahedra that share corners with twelve equivalent CoYb5Co7 cuboctahedra, edges with six equivalent CoYb6Co6 cuboctahedra, and faces with eighteen equivalent CoYb5Co7 cuboctahedra.

Publication Date:
Other Number(s):
mp-1095601
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; YbCo3; Co-Yb
OSTI Identifier:
1744018
DOI:
https://doi.org/10.17188/1744018

Citation Formats

The Materials Project. Materials Data on YbCo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744018.
The Materials Project. Materials Data on YbCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1744018
The Materials Project. 2020. "Materials Data on YbCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1744018. https://www.osti.gov/servlets/purl/1744018. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1744018,
title = {Materials Data on YbCo3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Yb–Co bond distances ranging from 2.88–3.01 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.17 Å) Yb–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Yb and seven Co atoms to form a mixture of corner, edge, and face-sharing CoYb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.50 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Yb and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Yb and six equivalent Co atoms to form CoYb6Co6 cuboctahedra that share corners with twelve equivalent CoYb5Co7 cuboctahedra, edges with six equivalent CoYb6Co6 cuboctahedra, and faces with eighteen equivalent CoYb5Co7 cuboctahedra.},
doi = {10.17188/1744018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}