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Title: Materials Data on Dy(FeGe)6 by Materials Project

Abstract

DyFe6Ge6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded to twelve Fe and eight Ge atoms to form distorted DyFe12Ge8 hexagonal bipyramids that share corners with four equivalent DyFe12Ge8 hexagonal bipyramids, faces with eight equivalent FeDy2Fe4Ge6 cuboctahedra, and faces with four equivalent DyFe12Ge8 hexagonal bipyramids. There are a spread of Dy–Fe bond distances ranging from 3.24–3.29 Å. There are a spread of Dy–Ge bond distances ranging from 2.82–2.99 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Dy, four Fe, and six Ge atoms to form distorted FeDy2Fe4Ge6 cuboctahedra that share corners with four equivalent FeDy2Fe4Ge6 cuboctahedra, edges with two equivalent FeDy2Fe4Ge6 cuboctahedra, faces with four equivalent FeDy2Fe4Ge6 cuboctahedra, and faces with four equivalent DyFe12Ge8 hexagonal bipyramids. There are two shorter (2.55 Å) and two longer (2.57 Å) Fe–Fe bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.51–2.68 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, four Fe, and six Ge atoms. There are two shorter (2.55 Å) and two longer (2.57 Å) Fe–Fe bond lengths. There are a spread of Fe–Gemore » bond distances ranging from 2.51–2.66 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, four Fe, and six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.48–2.68 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Dy and six Fe atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to one Dy and six Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Fe, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Dy and six Fe atoms. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to six Fe atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193865
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; Dy(FeGe)6; Dy-Fe-Ge
OSTI Identifier:
1666541
DOI:
https://doi.org/10.17188/1666541

Citation Formats

The Materials Project. Materials Data on Dy(FeGe)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666541.
The Materials Project. Materials Data on Dy(FeGe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1666541
The Materials Project. 2019. "Materials Data on Dy(FeGe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1666541. https://www.osti.gov/servlets/purl/1666541. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1666541,
title = {Materials Data on Dy(FeGe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {DyFe6Ge6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded to twelve Fe and eight Ge atoms to form distorted DyFe12Ge8 hexagonal bipyramids that share corners with four equivalent DyFe12Ge8 hexagonal bipyramids, faces with eight equivalent FeDy2Fe4Ge6 cuboctahedra, and faces with four equivalent DyFe12Ge8 hexagonal bipyramids. There are a spread of Dy–Fe bond distances ranging from 3.24–3.29 Å. There are a spread of Dy–Ge bond distances ranging from 2.82–2.99 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Dy, four Fe, and six Ge atoms to form distorted FeDy2Fe4Ge6 cuboctahedra that share corners with four equivalent FeDy2Fe4Ge6 cuboctahedra, edges with two equivalent FeDy2Fe4Ge6 cuboctahedra, faces with four equivalent FeDy2Fe4Ge6 cuboctahedra, and faces with four equivalent DyFe12Ge8 hexagonal bipyramids. There are two shorter (2.55 Å) and two longer (2.57 Å) Fe–Fe bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.51–2.68 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, four Fe, and six Ge atoms. There are two shorter (2.55 Å) and two longer (2.57 Å) Fe–Fe bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.51–2.66 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, four Fe, and six Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.48–2.68 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Dy and six Fe atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to one Dy and six Fe atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Dy, six Fe, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the fourth Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Dy and six Fe atoms. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to six Fe atoms.},
doi = {10.17188/1666541},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}