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Title: Materials Data on Lu(CuSn)2 by Materials Project

Abstract

Lu(CuSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. All Lu–Cu bond lengths are 3.34 Å. There are four shorter (3.24 Å) and four longer (3.64 Å) Lu–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Cu, and four equivalent Sn atoms. All Cu–Cu bond lengths are 3.04 Å. All Cu–Sn bond lengths are 2.60 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Sn atoms. There are one shorter (2.47 Å) and four longer (2.66 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Lu and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing SnLu4Cu4 tetrahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Lu and five Cu atoms.

Publication Date:
Other Number(s):
mp-1078587
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; Lu(CuSn)2; Cu-Lu-Sn
OSTI Identifier:
1746905
DOI:
https://doi.org/10.17188/1746905

Citation Formats

The Materials Project. Materials Data on Lu(CuSn)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746905.
The Materials Project. Materials Data on Lu(CuSn)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746905
The Materials Project. 2020. "Materials Data on Lu(CuSn)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746905. https://www.osti.gov/servlets/purl/1746905. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746905,
title = {Materials Data on Lu(CuSn)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu(CuSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. All Lu–Cu bond lengths are 3.34 Å. There are four shorter (3.24 Å) and four longer (3.64 Å) Lu–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Cu, and four equivalent Sn atoms. All Cu–Cu bond lengths are 3.04 Å. All Cu–Sn bond lengths are 2.60 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Sn atoms. There are one shorter (2.47 Å) and four longer (2.66 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Lu and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing SnLu4Cu4 tetrahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Lu and five Cu atoms.},
doi = {10.17188/1746905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}