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

Title: Materials Data on Mg6GaSb by Materials Project

Abstract

Mg6GaSb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Ga, and two equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga2Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.25 Å. There are one shorter (3.04 Å) and one longer (3.27 Å) Mg–Ga bond lengths. Both Mg–Sb bond lengths are 3.16 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Ga2 cuboctahedra. There are four shorter (3.19 Å) and two longer (3.20 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.08 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Ga, and two equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga2Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.20 Å. Both Mg–Ga bond lengths are 3.12 Å. There are one shorter (3.15 Å) and one longer (3.16 Å) Mg–Sb bond lengths. In the fourth Mg site,more » Mg is bonded in a distorted linear geometry to ten Mg and two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.08 Å. Ga is bonded in a 12-coordinate geometry to ten Mg and two equivalent Sb atoms. Both Ga–Sb bond lengths are 3.34 Å. Sb is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ga atoms.« less

Publication Date:
Other Number(s):
mp-1017269
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; Mg6GaSb; Ga-Mg-Sb
OSTI Identifier:
1672796
DOI:
https://doi.org/10.17188/1672796

Citation Formats

The Materials Project. Materials Data on Mg6GaSb by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1672796.
The Materials Project. Materials Data on Mg6GaSb by Materials Project. United States. doi:https://doi.org/10.17188/1672796
The Materials Project. 2017. "Materials Data on Mg6GaSb by Materials Project". United States. doi:https://doi.org/10.17188/1672796. https://www.osti.gov/servlets/purl/1672796. Pub date:Sun Apr 02 00:00:00 EDT 2017
@article{osti_1672796,
title = {Materials Data on Mg6GaSb by Materials Project},
author = {The Materials Project},
abstractNote = {Mg6GaSb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg, two equivalent Ga, and two equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga2Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.07–3.25 Å. There are one shorter (3.04 Å) and one longer (3.27 Å) Mg–Ga bond lengths. Both Mg–Sb bond lengths are 3.16 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Ga2 cuboctahedra. There are four shorter (3.19 Å) and two longer (3.20 Å) Mg–Mg bond lengths. Both Mg–Ga bond lengths are 3.08 Å. In the third Mg site, Mg is bonded to eight Mg, two equivalent Ga, and two equivalent Sb atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga2Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.20 Å. Both Mg–Ga bond lengths are 3.12 Å. There are one shorter (3.15 Å) and one longer (3.16 Å) Mg–Sb bond lengths. In the fourth Mg site, Mg is bonded in a distorted linear geometry to ten Mg and two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.08 Å. Ga is bonded in a 12-coordinate geometry to ten Mg and two equivalent Sb atoms. Both Ga–Sb bond lengths are 3.34 Å. Sb is bonded in a 12-coordinate geometry to ten Mg and two equivalent Ga atoms.},
doi = {10.17188/1672796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}