Materials Data on GaFe3 by Materials Project
Abstract
Fe3Ga is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent GaFe12 cuboctahedra, corners with fourteen FeGa4Fe8 cuboctahedra, edges with six equivalent GaFe12 cuboctahedra, edges with twelve FeGa4Fe8 cuboctahedra, faces with four equivalent GaFe12 cuboctahedra, and faces with sixteen FeGa4Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.47–2.69 Å. There are two shorter (2.58 Å) and two longer (2.61 Å) Fe–Ga bond lengths. In the second Fe site, Fe is bonded to eight Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent GaFe12 cuboctahedra, corners with fourteen FeGa4Fe8 cuboctahedra, edges with six equivalent GaFe12 cuboctahedra, edges with twelve FeGa4Fe8 cuboctahedra, faces with four equivalent GaFe12 cuboctahedra, and faces with sixteen FeGa4Fe8 cuboctahedra. There are one shorter (2.47 Å) and one longer (2.69 Å) Fe–Fe bond lengths. There are two shorter (2.58 Å) and two longer (2.61 Å) Fe–Ga bond lengths. Ga is bonded to twelve Fe atoms to form GaFe12 cuboctahedra thatmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1078766
- 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; GaFe3; Fe-Ga
- OSTI Identifier:
- 1732453
- DOI:
- https://doi.org/10.17188/1732453
Citation Formats
The Materials Project. Materials Data on GaFe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732453.
The Materials Project. Materials Data on GaFe3 by Materials Project. United States. doi:https://doi.org/10.17188/1732453
The Materials Project. 2020.
"Materials Data on GaFe3 by Materials Project". United States. doi:https://doi.org/10.17188/1732453. https://www.osti.gov/servlets/purl/1732453. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732453,
title = {Materials Data on GaFe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Ga is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent GaFe12 cuboctahedra, corners with fourteen FeGa4Fe8 cuboctahedra, edges with six equivalent GaFe12 cuboctahedra, edges with twelve FeGa4Fe8 cuboctahedra, faces with four equivalent GaFe12 cuboctahedra, and faces with sixteen FeGa4Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.47–2.69 Å. There are two shorter (2.58 Å) and two longer (2.61 Å) Fe–Ga bond lengths. In the second Fe site, Fe is bonded to eight Fe and four equivalent Ga atoms to form FeGa4Fe8 cuboctahedra that share corners with four equivalent GaFe12 cuboctahedra, corners with fourteen FeGa4Fe8 cuboctahedra, edges with six equivalent GaFe12 cuboctahedra, edges with twelve FeGa4Fe8 cuboctahedra, faces with four equivalent GaFe12 cuboctahedra, and faces with sixteen FeGa4Fe8 cuboctahedra. There are one shorter (2.47 Å) and one longer (2.69 Å) Fe–Fe bond lengths. There are two shorter (2.58 Å) and two longer (2.61 Å) Fe–Ga bond lengths. Ga is bonded to twelve Fe atoms to form GaFe12 cuboctahedra that share corners with six equivalent GaFe12 cuboctahedra, corners with twelve FeGa4Fe8 cuboctahedra, edges with eighteen FeGa4Fe8 cuboctahedra, faces with eight equivalent GaFe12 cuboctahedra, and faces with twelve FeGa4Fe8 cuboctahedra.},
doi = {10.17188/1732453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}