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Title: Materials Data on DyFe6(Sn2Ge)2 by Materials Project

Abstract

DyFe6(Sn2Ge)2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Fe, two equivalent Sn, and six equivalent Ge atoms to form distorted DyFe12Sn2Ge6 hexagonal bipyramids that share faces with twenty-four equivalent FeDy2Fe4Sn4Ge2 cuboctahedra and faces with six equivalent DyFe12Sn2Ge6 hexagonal bipyramids. All Dy–Fe bond lengths are 3.33 Å. Both Dy–Sn bond lengths are 2.93 Å. All Dy–Ge bond lengths are 3.05 Å. Fe is bonded to two equivalent Dy, four equivalent Fe, four Sn, and two equivalent Ge atoms to form distorted FeDy2Fe4Sn4Ge2 cuboctahedra that share corners with fourteen equivalent FeDy2Fe4Sn4Ge2 cuboctahedra, edges with seven equivalent FeDy2Fe4Sn4Ge2 cuboctahedra, faces with nine equivalent FeDy2Fe4Sn4Ge2 cuboctahedra, and faces with four equivalent DyFe12Sn2Ge6 hexagonal bipyramids. All Fe–Fe bond lengths are 2.64 Å. There are two shorter (2.78 Å) and two longer (2.80 Å) Fe–Sn bond lengths. Both Fe–Ge bond lengths are 2.53 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to one Dy, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.83 Å.more » Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Fe atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1213018
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; DyFe6(Sn2Ge)2; Dy-Fe-Ge-Sn
OSTI Identifier:
1687620
DOI:
https://doi.org/10.17188/1687620

Citation Formats

The Materials Project. Materials Data on DyFe6(Sn2Ge)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687620.
The Materials Project. Materials Data on DyFe6(Sn2Ge)2 by Materials Project. United States. doi:https://doi.org/10.17188/1687620
The Materials Project. 2019. "Materials Data on DyFe6(Sn2Ge)2 by Materials Project". United States. doi:https://doi.org/10.17188/1687620. https://www.osti.gov/servlets/purl/1687620. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687620,
title = {Materials Data on DyFe6(Sn2Ge)2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyFe6(Sn2Ge)2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Fe, two equivalent Sn, and six equivalent Ge atoms to form distorted DyFe12Sn2Ge6 hexagonal bipyramids that share faces with twenty-four equivalent FeDy2Fe4Sn4Ge2 cuboctahedra and faces with six equivalent DyFe12Sn2Ge6 hexagonal bipyramids. All Dy–Fe bond lengths are 3.33 Å. Both Dy–Sn bond lengths are 2.93 Å. All Dy–Ge bond lengths are 3.05 Å. Fe is bonded to two equivalent Dy, four equivalent Fe, four Sn, and two equivalent Ge atoms to form distorted FeDy2Fe4Sn4Ge2 cuboctahedra that share corners with fourteen equivalent FeDy2Fe4Sn4Ge2 cuboctahedra, edges with seven equivalent FeDy2Fe4Sn4Ge2 cuboctahedra, faces with nine equivalent FeDy2Fe4Sn4Ge2 cuboctahedra, and faces with four equivalent DyFe12Sn2Ge6 hexagonal bipyramids. All Fe–Fe bond lengths are 2.64 Å. There are two shorter (2.78 Å) and two longer (2.80 Å) Fe–Sn bond lengths. Both Fe–Ge bond lengths are 2.53 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to one Dy, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.83 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Fe atoms.},
doi = {10.17188/1687620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}