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Title: Materials Data on Sc(FeSn)6 by Materials Project

Abstract

Sc(FeSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Fe and eight Sn atoms to form distorted face-sharing ScFe12Sn8 hexagonal bipyramids. All Sc–Fe bond lengths are 3.47 Å. There are two shorter (2.97 Å) and six longer (3.11 Å) Sc–Sn bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Sn atoms. All Fe–Fe bond lengths are 2.69 Å. There are a spread of Fe–Sn bond distances ranging from 2.68–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Sc, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.97 Å.

Publication Date:
Other Number(s):
mp-1103938
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; Sc(FeSn)6; Fe-Sc-Sn
OSTI Identifier:
1682842
DOI:
https://doi.org/10.17188/1682842

Citation Formats

The Materials Project. Materials Data on Sc(FeSn)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682842.
The Materials Project. Materials Data on Sc(FeSn)6 by Materials Project. United States. doi:https://doi.org/10.17188/1682842
The Materials Project. 2020. "Materials Data on Sc(FeSn)6 by Materials Project". United States. doi:https://doi.org/10.17188/1682842. https://www.osti.gov/servlets/purl/1682842. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682842,
title = {Materials Data on Sc(FeSn)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc(FeSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Fe and eight Sn atoms to form distorted face-sharing ScFe12Sn8 hexagonal bipyramids. All Sc–Fe bond lengths are 3.47 Å. There are two shorter (2.97 Å) and six longer (3.11 Å) Sc–Sn bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Sn atoms. All Fe–Fe bond lengths are 2.69 Å. There are a spread of Fe–Sn bond distances ranging from 2.68–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Sc, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.97 Å.},
doi = {10.17188/1682842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}