U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg14GaSb by Materials Project
Abstract
Mg14GaSb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent SbMg10Ga2 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, faces with two equivalent GaMg10Sb2 cuboctahedra, and faces with six MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.30 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent GaMg10Sb2 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, faces with two equivalent SbMg10Ga2 cuboctahedra, and faces with six MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.22 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ga, and two equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.13–3.32 Å. There are one shorter (3.09 Å) and one longer (3.21 Å) Mg–Ga bond lengths. There are one shorter (3.10 Å) and one longer (3.20 Å) Mg–Sb bond lengths. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1026449
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Mg14GaSb; Ga-Mg-Sb
- OSTI Identifier:
- 1675873
- DOI:
- https://doi.org/10.17188/1675873
Citation Formats
The Materials Project. Materials Data on Mg14GaSb by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1675873.
The Materials Project. Materials Data on Mg14GaSb by Materials Project. United States. doi:https://doi.org/10.17188/1675873
The Materials Project. 2017.
"Materials Data on Mg14GaSb by Materials Project". United States. doi:https://doi.org/10.17188/1675873. https://www.osti.gov/servlets/purl/1675873. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1675873,
title = {Materials Data on Mg14GaSb by Materials Project},
author = {The Materials Project},
abstractNote = {Mg14GaSb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent SbMg10Ga2 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, faces with two equivalent GaMg10Sb2 cuboctahedra, and faces with six MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.30 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent GaMg10Sb2 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, faces with two equivalent SbMg10Ga2 cuboctahedra, and faces with six MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.22 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent Ga, and two equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.13–3.32 Å. There are one shorter (3.09 Å) and one longer (3.21 Å) Mg–Ga bond lengths. There are one shorter (3.10 Å) and one longer (3.20 Å) Mg–Sb bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with four equivalent GaMg10Sb2 cuboctahedra, corners with four equivalent SbMg10Ga2 cuboctahedra, corners with six equivalent MgMg12 cuboctahedra, edges with six MgMg12 cuboctahedra, and faces with six MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.30 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, one Ga, and one Sb atom. The Mg–Ga bond length is 3.13 Å. The Mg–Sb bond length is 3.17 Å. In the sixth Mg site, Mg is bonded in a distorted single-bond geometry to five Mg and one Ga atom. The Mg–Ga bond length is 3.07 Å. In the seventh Mg site, Mg is bonded in a distorted single-bond geometry to five Mg and one Sb atom. The Mg–Sb bond length is 3.14 Å. Ga is bonded to ten Mg and two equivalent Sb atoms to form distorted GaMg10Sb2 cuboctahedra that share corners with six equivalent GaMg10Sb2 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with two equivalent SbMg10Ga2 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with two equivalent SbMg10Ga2 cuboctahedra. Both Ga–Sb bond lengths are 3.30 Å. Sb is bonded to ten Mg and two equivalent Ga atoms to form distorted SbMg10Ga2 cuboctahedra that share corners with six equivalent SbMg10Ga2 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with two equivalent GaMg10Sb2 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with two equivalent GaMg10Sb2 cuboctahedra.},
doi = {10.17188/1675873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}