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Title: Materials Data on Gd2MnGa6 by Materials Project

Abstract

Gd2MnGa6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd is bonded to twelve Ga atoms to form GdGa12 cuboctahedra that share corners with twelve equivalent GdGa12 cuboctahedra, faces with six equivalent GdGa12 cuboctahedra, and faces with four equivalent MnGa6 octahedra. There are a spread of Gd–Ga bond distances ranging from 3.09–3.11 Å. Mn is bonded to six Ga atoms to form MnGa6 octahedra that share faces with eight equivalent GdGa12 cuboctahedra. All Mn–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Gd, one Mn, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Gd, one Mn, and four Ga atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Ga–Ga bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-636619
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; Gd2MnGa6; Ga-Gd-Mn
OSTI Identifier:
1279595
DOI:
10.17188/1279595

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Gd2MnGa6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279595.
Persson, Kristin, & Project, Materials. Materials Data on Gd2MnGa6 by Materials Project. United States. doi:10.17188/1279595.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Gd2MnGa6 by Materials Project". United States. doi:10.17188/1279595. https://www.osti.gov/servlets/purl/1279595. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1279595,
title = {Materials Data on Gd2MnGa6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Gd2MnGa6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Gd is bonded to twelve Ga atoms to form GdGa12 cuboctahedra that share corners with twelve equivalent GdGa12 cuboctahedra, faces with six equivalent GdGa12 cuboctahedra, and faces with four equivalent MnGa6 octahedra. There are a spread of Gd–Ga bond distances ranging from 3.09–3.11 Å. Mn is bonded to six Ga atoms to form MnGa6 octahedra that share faces with eight equivalent GdGa12 cuboctahedra. All Mn–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Gd, one Mn, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four equivalent Gd, one Mn, and four Ga atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Ga–Ga bond lengths.},
doi = {10.17188/1279595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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