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Title: Materials Data on Yb by Materials Project

Abstract

Yb is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Yb sites. In the first Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with eighteen YbYb16 cuboctahedra, edges with eighteen YbYb12 cuboctahedra, and faces with twenty YbYb12 cuboctahedra. There are six shorter (3.86 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to twelve Yb atoms to form a mixture of corner, edge, and face-sharing YbYb12 cuboctahedra. There are three shorter (3.87 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the third Yb site, Yb is bonded to twelve Yb atoms to form a mixture of corner, edge, and face-sharing YbYb12 cuboctahedra. There are six shorter (3.86 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the fourth Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with twenty YbYb16 cuboctahedra, edges with nineteen YbYb12 cuboctahedra, and faces with twenty-two YbYb12 cuboctahedra. There are three shorter (3.87 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the fifth Yb site, Yb ismore » bonded to sixteen Yb atoms to form YbYb16 cuboctahedra that share corners with twenty-five YbYb12 cuboctahedra, edges with twenty-one YbYb16 cuboctahedra, and faces with thirty-five YbYb16 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.88–7.76 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-972364
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; Yb; Yb
OSTI Identifier:
1282044
DOI:
10.17188/1282044

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282044.
Persson, Kristin, & Project, Materials. Materials Data on Yb by Materials Project. United States. doi:10.17188/1282044.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Yb by Materials Project". United States. doi:10.17188/1282044. https://www.osti.gov/servlets/purl/1282044. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282044,
title = {Materials Data on Yb by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Yb sites. In the first Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with eighteen YbYb16 cuboctahedra, edges with eighteen YbYb12 cuboctahedra, and faces with twenty YbYb12 cuboctahedra. There are six shorter (3.86 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to twelve Yb atoms to form a mixture of corner, edge, and face-sharing YbYb12 cuboctahedra. There are three shorter (3.87 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the third Yb site, Yb is bonded to twelve Yb atoms to form a mixture of corner, edge, and face-sharing YbYb12 cuboctahedra. There are six shorter (3.86 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the fourth Yb site, Yb is bonded to twelve Yb atoms to form YbYb12 cuboctahedra that share corners with twenty YbYb16 cuboctahedra, edges with nineteen YbYb12 cuboctahedra, and faces with twenty-two YbYb12 cuboctahedra. There are three shorter (3.87 Å) and six longer (3.88 Å) Yb–Yb bond lengths. In the fifth Yb site, Yb is bonded to sixteen Yb atoms to form YbYb16 cuboctahedra that share corners with twenty-five YbYb12 cuboctahedra, edges with twenty-one YbYb16 cuboctahedra, and faces with thirty-five YbYb16 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.88–7.76 Å.},
doi = {10.17188/1282044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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