Materials Data on MgGa5 by Materials Project
Abstract
MgGa5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgGa5 sheet oriented in the (0, 0, 1) direction. Mg is bonded to ten Ga atoms to form a mixture of distorted corner and face-sharing MgGa10 cuboctahedra. There are a spread of Mg–Ga bond distances ranging from 2.95–3.04 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Mg atom. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1094662
- 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; MgGa5; Ga-Mg
- OSTI Identifier:
- 1716463
- DOI:
- https://doi.org/10.17188/1716463
Citation Formats
The Materials Project. Materials Data on MgGa5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716463.
The Materials Project. Materials Data on MgGa5 by Materials Project. United States. doi:https://doi.org/10.17188/1716463
The Materials Project. 2020.
"Materials Data on MgGa5 by Materials Project". United States. doi:https://doi.org/10.17188/1716463. https://www.osti.gov/servlets/purl/1716463. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1716463,
title = {Materials Data on MgGa5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgGa5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgGa5 sheet oriented in the (0, 0, 1) direction. Mg is bonded to ten Ga atoms to form a mixture of distorted corner and face-sharing MgGa10 cuboctahedra. There are a spread of Mg–Ga bond distances ranging from 2.95–3.04 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Mg atom. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Mg atoms.},
doi = {10.17188/1716463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}