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Title: Materials Data on YbCu5Sn by Materials Project

Abstract

YbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Yb–Cu bond distances ranging from 2.91–3.32 Å. There are a spread of Yb–Sn bond distances ranging from 3.25–3.40 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Yb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuYb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.60 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Yb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuYb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.55 Å. Both Cu–Sn bond lengths are 2.77 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb, six Cu, and one Sn atom. The Cu–Cu bond length is 3.02 Å. The Cu–Sn bond length is 2.77 Å. In the fourth Cu site, Cu is bonded inmore » a 4-coordinate geometry to three equivalent Yb, five Cu, and three equivalent Sn atoms. There are one shorter (2.61 Å) and two longer (3.04 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Yb and ten Cu atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1207636
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; YbCu5Sn; Cu-Sn-Yb
OSTI Identifier:
1738346
DOI:
https://doi.org/10.17188/1738346

Citation Formats

The Materials Project. Materials Data on YbCu5Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738346.
The Materials Project. Materials Data on YbCu5Sn by Materials Project. United States. doi:https://doi.org/10.17188/1738346
The Materials Project. 2020. "Materials Data on YbCu5Sn by Materials Project". United States. doi:https://doi.org/10.17188/1738346. https://www.osti.gov/servlets/purl/1738346. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738346,
title = {Materials Data on YbCu5Sn by Materials Project},
author = {The Materials Project},
abstractNote = {YbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Yb–Cu bond distances ranging from 2.91–3.32 Å. There are a spread of Yb–Sn bond distances ranging from 3.25–3.40 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Yb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuYb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.60 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Yb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuYb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.55 Å. Both Cu–Sn bond lengths are 2.77 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb, six Cu, and one Sn atom. The Cu–Cu bond length is 3.02 Å. The Cu–Sn bond length is 2.77 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Yb, five Cu, and three equivalent Sn atoms. There are one shorter (2.61 Å) and two longer (3.04 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Yb and ten Cu atoms.},
doi = {10.17188/1738346},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}