DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmCu5Sn by Materials Project

Abstract

SmCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Sm–Cu bond distances ranging from 2.91–3.37 Å. There are two shorter (3.30 Å) and two longer (3.40 Å) Sm–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Sm, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuSm3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.58 Å. Both Cu–Sn bond lengths are 2.82 Å. In the second Cu site, Cu is bonded to three equivalent Sm, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuSm3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.55 Å. There are one shorter (2.77 Å) and one longer (2.80 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Sm, six Cu, and one Sn atom. The Cu–Cu bond length is 3.06 Å. The Cu–Sn bond length is 2.80 Å.more » In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Sm, five Cu, and three equivalent Sn atoms. There are one shorter (2.65 Å) and two longer (3.04 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Sm and ten Cu atoms.« less

Publication Date:
Other Number(s):
mp-1208682
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; SmCu5Sn; Cu-Sm-Sn
OSTI Identifier:
1706971
DOI:
https://doi.org/10.17188/1706971

Citation Formats

The Materials Project. Materials Data on SmCu5Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706971.
The Materials Project. Materials Data on SmCu5Sn by Materials Project. United States. doi:https://doi.org/10.17188/1706971
The Materials Project. 2020. "Materials Data on SmCu5Sn by Materials Project". United States. doi:https://doi.org/10.17188/1706971. https://www.osti.gov/servlets/purl/1706971. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1706971,
title = {Materials Data on SmCu5Sn by Materials Project},
author = {The Materials Project},
abstractNote = {SmCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Sm–Cu bond distances ranging from 2.91–3.37 Å. There are two shorter (3.30 Å) and two longer (3.40 Å) Sm–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Sm, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuSm3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.58 Å. Both Cu–Sn bond lengths are 2.82 Å. In the second Cu site, Cu is bonded to three equivalent Sm, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuSm3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.55 Å. There are one shorter (2.77 Å) and one longer (2.80 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Sm, six Cu, and one Sn atom. The Cu–Cu bond length is 3.06 Å. The Cu–Sn bond length is 2.80 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Sm, five Cu, and three equivalent Sn atoms. There are one shorter (2.65 Å) and two longer (3.04 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Sm and ten Cu atoms.},
doi = {10.17188/1706971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}