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Title: Materials Data on MgGa by Materials Project

Abstract

MgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form distorted corner-sharing MgGa4 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.04 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.11 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.93–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to eight Mg atoms. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Mg atoms.

Publication Date:
Other Number(s):
mp-1094648
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; MgGa; Ga-Mg
OSTI Identifier:
1727138
DOI:
https://doi.org/10.17188/1727138

Citation Formats

The Materials Project. Materials Data on MgGa by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727138.
The Materials Project. Materials Data on MgGa by Materials Project. United States. doi:https://doi.org/10.17188/1727138
The Materials Project. 2020. "Materials Data on MgGa by Materials Project". United States. doi:https://doi.org/10.17188/1727138. https://www.osti.gov/servlets/purl/1727138. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727138,
title = {Materials Data on MgGa by Materials Project},
author = {The Materials Project},
abstractNote = {MgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form distorted corner-sharing MgGa4 cuboctahedra. There are two shorter (2.98 Å) and two longer (3.04 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.90–3.11 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.93–3.05 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to eight Mg atoms. In the third Ga site, Ga is bonded in a 4-coordinate geometry to four Mg atoms.},
doi = {10.17188/1727138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}