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

Abstract

TmFe6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Fe and eight Sn atoms to form distorted TmFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent FeTm2Fe4Sn6 cuboctahedra and faces with six equivalent TmFe12Sn8 hexagonal bipyramids. All Tm–Fe bond lengths are 3.48 Å. There are two shorter (3.00 Å) and six longer (3.12 Å) Tm–Sn bond lengths. Fe is bonded to two equivalent Tm, four equivalent Fe, and six Sn atoms to form distorted FeTm2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent FeTm2Fe4Sn6 cuboctahedra, edges with seven equivalent FeTm2Fe4Sn6 cuboctahedra, faces with nine equivalent FeTm2Fe4Sn6 cuboctahedra, and faces with four equivalent TmFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.69–2.82 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm 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 Tm, six equivalent Fe, and one Sn atom. The Sn–Snmore » bond length is 2.91 Å.« less

Publication Date:
Other Number(s):
mp-1104538
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; Tm(FeSn)6; Fe-Sn-Tm
OSTI Identifier:
1744264
DOI:
https://doi.org/10.17188/1744264

Citation Formats

The Materials Project. Materials Data on Tm(FeSn)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744264.
The Materials Project. Materials Data on Tm(FeSn)6 by Materials Project. United States. doi:https://doi.org/10.17188/1744264
The Materials Project. 2020. "Materials Data on Tm(FeSn)6 by Materials Project". United States. doi:https://doi.org/10.17188/1744264. https://www.osti.gov/servlets/purl/1744264. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744264,
title = {Materials Data on Tm(FeSn)6 by Materials Project},
author = {The Materials Project},
abstractNote = {TmFe6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Fe and eight Sn atoms to form distorted TmFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent FeTm2Fe4Sn6 cuboctahedra and faces with six equivalent TmFe12Sn8 hexagonal bipyramids. All Tm–Fe bond lengths are 3.48 Å. There are two shorter (3.00 Å) and six longer (3.12 Å) Tm–Sn bond lengths. Fe is bonded to two equivalent Tm, four equivalent Fe, and six Sn atoms to form distorted FeTm2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent FeTm2Fe4Sn6 cuboctahedra, edges with seven equivalent FeTm2Fe4Sn6 cuboctahedra, faces with nine equivalent FeTm2Fe4Sn6 cuboctahedra, and faces with four equivalent TmFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.69–2.82 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm 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 Tm, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.91 Å.},
doi = {10.17188/1744264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}