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Title: Materials Data on Dy4Ga12Fe by Materials Project

Abstract

Dy4FeGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded to twelve Ga atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent DyGa12 cuboctahedra, edges with twelve equivalent GaDy4Ga8 cuboctahedra, faces with six equivalent DyGa12 cuboctahedra, faces with six equivalent GaDy4Ga8 cuboctahedra, and faces with two equivalent FeGa6 octahedra. There are six shorter (3.04 Å) and six longer (3.05 Å) Dy–Ga bond lengths. Fe is bonded to six equivalent Ga atoms to form FeGa6 octahedra that share corners with twenty-four equivalent GaDy4Ga8 cuboctahedra and faces with eight equivalent DyGa12 cuboctahedra. All Fe–Ga bond lengths are 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Dy and eight Ga atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with four equivalent GaDy4Ga8 cuboctahedra, corners with four equivalent FeGa6 octahedra, edges with eight equivalent DyGa12 cuboctahedra, edges with eight equivalent GaDy4Ga8 cuboctahedra, faces with four equivalent DyGa12 cuboctahedra, and faces with six equivalent GaDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.85 Å) and four longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded inmore » a 5-coordinate geometry to four equivalent Dy, one Fe, and four equivalent Ga atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1189987
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; Dy4Ga12Fe; Dy-Fe-Ga
OSTI Identifier:
1705680
DOI:
https://doi.org/10.17188/1705680

Citation Formats

The Materials Project. Materials Data on Dy4Ga12Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705680.
The Materials Project. Materials Data on Dy4Ga12Fe by Materials Project. United States. doi:https://doi.org/10.17188/1705680
The Materials Project. 2020. "Materials Data on Dy4Ga12Fe by Materials Project". United States. doi:https://doi.org/10.17188/1705680. https://www.osti.gov/servlets/purl/1705680. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705680,
title = {Materials Data on Dy4Ga12Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Dy4FeGa12 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded to twelve Ga atoms to form DyGa12 cuboctahedra that share corners with twelve equivalent DyGa12 cuboctahedra, edges with twelve equivalent GaDy4Ga8 cuboctahedra, faces with six equivalent DyGa12 cuboctahedra, faces with six equivalent GaDy4Ga8 cuboctahedra, and faces with two equivalent FeGa6 octahedra. There are six shorter (3.04 Å) and six longer (3.05 Å) Dy–Ga bond lengths. Fe is bonded to six equivalent Ga atoms to form FeGa6 octahedra that share corners with twenty-four equivalent GaDy4Ga8 cuboctahedra and faces with eight equivalent DyGa12 cuboctahedra. All Fe–Ga bond lengths are 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Dy and eight Ga atoms to form distorted GaDy4Ga8 cuboctahedra that share corners with four equivalent GaDy4Ga8 cuboctahedra, corners with four equivalent FeGa6 octahedra, edges with eight equivalent DyGa12 cuboctahedra, edges with eight equivalent GaDy4Ga8 cuboctahedra, faces with four equivalent DyGa12 cuboctahedra, and faces with six equivalent GaDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.85 Å) and four longer (3.04 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 5-coordinate geometry to four equivalent Dy, one Fe, and four equivalent Ga atoms.},
doi = {10.17188/1705680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}