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Title: Materials Data on Yb3(CuSn)4 by Materials Project

Abstract

Yb3Cu4Sn4 crystallizes in the orthorhombic Immm 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 six equivalent Cu and six Sn atoms. There are two shorter (3.17 Å) and four longer (3.22 Å) Yb–Cu bond lengths. There are two shorter (3.15 Å) and four longer (3.30 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded to six Sn atoms to form distorted edge-sharing YbSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.19 Å) Yb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Yb, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.65 Å. There are a spread of Cu–Sn bond distances ranging from 2.62–2.75 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Yb and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.81 Å.

Authors:
Publication Date:
Other Number(s):
mp-1207635
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; Yb3(CuSn)4; Cu-Sn-Yb
OSTI Identifier:
1718762
DOI:
https://doi.org/10.17188/1718762

Citation Formats

The Materials Project. Materials Data on Yb3(CuSn)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1718762.
The Materials Project. Materials Data on Yb3(CuSn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1718762
The Materials Project. 2019. "Materials Data on Yb3(CuSn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1718762. https://www.osti.gov/servlets/purl/1718762. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1718762,
title = {Materials Data on Yb3(CuSn)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3Cu4Sn4 crystallizes in the orthorhombic Immm 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 six equivalent Cu and six Sn atoms. There are two shorter (3.17 Å) and four longer (3.22 Å) Yb–Cu bond lengths. There are two shorter (3.15 Å) and four longer (3.30 Å) Yb–Sn bond lengths. In the second Yb site, Yb is bonded to six Sn atoms to form distorted edge-sharing YbSn6 octahedra. There are four shorter (3.11 Å) and two longer (3.19 Å) Yb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Yb, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.65 Å. There are a spread of Cu–Sn bond distances ranging from 2.62–2.75 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Yb and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Yb, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.81 Å.},
doi = {10.17188/1718762},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}