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Title: Materials Data on Gd(Ga2Fe)4 by Materials Project

Abstract

Gd(FeGa2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Ga atoms. All Gd–Fe bond lengths are 3.32 Å. There are four shorter (2.96 Å) and eight longer (3.17 Å) Gd–Ga bond lengths. Fe is bonded to two equivalent Gd, two equivalent Fe, and eight Ga atoms to form a mixture of distorted corner, edge, and face-sharing FeGd2Ga8Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å. There are four shorter (2.53 Å) and four longer (2.63 Å) Fe–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Gd, four equivalent Fe, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.80 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Gd, four equivalent Fe, and five Ga atoms. The Ga–Ga bond length is 2.76 Å.

Publication Date:
Other Number(s):
mp-1212901
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; Gd(Ga2Fe)4; Fe-Ga-Gd
OSTI Identifier:
1744099
DOI:
https://doi.org/10.17188/1744099

Citation Formats

The Materials Project. Materials Data on Gd(Ga2Fe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744099.
The Materials Project. Materials Data on Gd(Ga2Fe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1744099
The Materials Project. 2020. "Materials Data on Gd(Ga2Fe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1744099. https://www.osti.gov/servlets/purl/1744099. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1744099,
title = {Materials Data on Gd(Ga2Fe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd(FeGa2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Ga atoms. All Gd–Fe bond lengths are 3.32 Å. There are four shorter (2.96 Å) and eight longer (3.17 Å) Gd–Ga bond lengths. Fe is bonded to two equivalent Gd, two equivalent Fe, and eight Ga atoms to form a mixture of distorted corner, edge, and face-sharing FeGd2Ga8Fe2 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å. There are four shorter (2.53 Å) and four longer (2.63 Å) Fe–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Gd, four equivalent Fe, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.80 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one Gd, four equivalent Fe, and five Ga atoms. The Ga–Ga bond length is 2.76 Å.},
doi = {10.17188/1744099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}