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Title: Materials Data on CeCu9Sn4 by Materials Project

Abstract

CeCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.52 Å) and eight longer (3.85 Å) Ce–Cu bond lengths. All Ce–Sn bond lengths are 3.56 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.10 Å. There are two shorter (2.86 Å) and two longer (2.93 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.48 Å. All Cu–Sn bond lengths are 2.60 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, eight Cu, and two equivalent Sn atoms. There are two shorter (2.52 Å) and one longer (2.67 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.71 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Ce, seven Cu, and two equivalent Sn atoms. Bothmore » Sn–Sn bond lengths are 2.88 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1215076
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; CeCu9Sn4; Ce-Cu-Sn
OSTI Identifier:
1719609
DOI:
https://doi.org/10.17188/1719609

Citation Formats

The Materials Project. Materials Data on CeCu9Sn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719609.
The Materials Project. Materials Data on CeCu9Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1719609
The Materials Project. 2020. "Materials Data on CeCu9Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1719609. https://www.osti.gov/servlets/purl/1719609. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1719609,
title = {Materials Data on CeCu9Sn4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.52 Å) and eight longer (3.85 Å) Ce–Cu bond lengths. All Ce–Sn bond lengths are 3.56 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.10 Å. There are two shorter (2.86 Å) and two longer (2.93 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.48 Å. All Cu–Sn bond lengths are 2.60 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, eight Cu, and two equivalent Sn atoms. There are two shorter (2.52 Å) and one longer (2.67 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.71 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Ce, seven Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.88 Å.},
doi = {10.17188/1719609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}