skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg5Ga by Materials Project

Abstract

Mg5Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with ten MgMg8Ga4 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.13 Å. All Mg–Ga bond lengths are 3.10 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg10Ga2 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.13 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.10 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with twelve MgMg10Ga2 cuboctahedra, edges with fifteen MgMg8Ga4 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Theremore » are two shorter (3.13 Å) and two longer (3.21 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.12 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with twelve MgMg10Ga2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. Both Mg–Ga bond lengths are 3.13 Å. Ga is bonded in a 12-coordinate geometry to ten Mg atoms.« less

Publication Date:
Other Number(s):
mp-1094626
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; Mg5Ga; Ga-Mg
OSTI Identifier:
1656201
DOI:
https://doi.org/10.17188/1656201

Citation Formats

The Materials Project. Materials Data on Mg5Ga by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656201.
The Materials Project. Materials Data on Mg5Ga by Materials Project. United States. doi:https://doi.org/10.17188/1656201
The Materials Project. 2020. "Materials Data on Mg5Ga by Materials Project". United States. doi:https://doi.org/10.17188/1656201. https://www.osti.gov/servlets/purl/1656201. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1656201,
title = {Materials Data on Mg5Ga by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with ten MgMg8Ga4 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.18 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.13 Å. All Mg–Ga bond lengths are 3.10 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg10Ga2 cuboctahedra. There are four shorter (3.10 Å) and two longer (3.13 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.10 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with twelve MgMg10Ga2 cuboctahedra, edges with fifteen MgMg8Ga4 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.13 Å) and two longer (3.21 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.12 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form distorted MgMg10Ga2 cuboctahedra that share corners with twelve MgMg10Ga2 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.13 Å. Both Mg–Ga bond lengths are 3.13 Å. Ga is bonded in a 12-coordinate geometry to ten Mg atoms.},
doi = {10.17188/1656201},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}