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Title: Materials Data on Sm2Cu4Sn5 by Materials Project

Abstract

Sm2Cu4Sn5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Cu and four equivalent Sn atoms. There are a spread of Sm–Cu bond distances ranging from 3.13–3.43 Å. All Sm–Sn bond lengths are 3.38 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to five Cu and eight Sn atoms. There are one shorter (3.15 Å) and four longer (3.17 Å) Sm–Cu bond lengths. There are four shorter (3.24 Å) and four longer (3.28 Å) Sm–Sn bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to five Sm and five Cu atoms. There are one shorter (2.36 Å) and four longer (2.44 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to four Sm, two equivalent Cu, and two equivalent Sn atoms. Both Cu–Sn bond lengths are 2.69 Å. In the third Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Sm, one Cu, and four equivalent Sn atoms. All Cu–Snmore » bond lengths are 2.66 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Sm and five Sn atoms. There are one shorter (2.90 Å) and four longer (3.19 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Sm, two equivalent Cu, and five Sn atoms. All Sn–Sn bond lengths are 3.19 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Cu atoms.« less

Publication Date:
Other Number(s):
mp-570702
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; Sm2Cu4Sn5; Cu-Sm-Sn
OSTI Identifier:
1275868
DOI:
https://doi.org/10.17188/1275868

Citation Formats

The Materials Project. Materials Data on Sm2Cu4Sn5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1275868.
The Materials Project. Materials Data on Sm2Cu4Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1275868
The Materials Project. 2019. "Materials Data on Sm2Cu4Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1275868. https://www.osti.gov/servlets/purl/1275868. Pub date:Thu Jun 06 00:00:00 EDT 2019
@article{osti_1275868,
title = {Materials Data on Sm2Cu4Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2Cu4Sn5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Cu and four equivalent Sn atoms. There are a spread of Sm–Cu bond distances ranging from 3.13–3.43 Å. All Sm–Sn bond lengths are 3.38 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to five Cu and eight Sn atoms. There are one shorter (3.15 Å) and four longer (3.17 Å) Sm–Cu bond lengths. There are four shorter (3.24 Å) and four longer (3.28 Å) Sm–Sn bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to five Sm and five Cu atoms. There are one shorter (2.36 Å) and four longer (2.44 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a distorted body-centered cubic geometry to four Sm, two equivalent Cu, and two equivalent Sn atoms. Both Cu–Sn bond lengths are 2.69 Å. In the third Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Sm, one Cu, and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.66 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Sm and five Sn atoms. There are one shorter (2.90 Å) and four longer (3.19 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Sm, two equivalent Cu, and five Sn atoms. All Sn–Sn bond lengths are 3.19 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Cu atoms.},
doi = {10.17188/1275868},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}