U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga4Fe3 by Materials Project
Abstract
Fe3Ga4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to four equivalent Fe and eight Ga atoms. All Fe–Fe bond lengths are 2.57 Å. There are a spread of Fe–Ga bond distances ranging from 2.61–2.65 Å. In the second Fe site, Fe is bonded in a 7-coordinate geometry to one Fe and seven Ga atoms. The Fe–Fe bond length is 2.75 Å. There are a spread of Fe–Ga bond distances ranging from 2.46–2.52 Å. In the third Fe site, Fe is bonded in a 11-coordinate geometry to three Fe and eight Ga atoms. Both Fe–Fe bond lengths are 2.57 Å. There are a spread of Fe–Ga bond distances ranging from 2.51–2.70 Å. In the fourth Fe site, Fe is bonded in a 9-coordinate geometry to two Fe and seven Ga atoms. There are a spread of Fe–Ga bond distances ranging from 2.48–2.58 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Fe and four equivalent Ga atoms. There are two shorter (2.93 Å) and two longer (2.94more »
- Publication Date:
- Other Number(s):
- mp-540538
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Ga; Ga4Fe3; crystal structure
- OSTI Identifier:
- 1264364
- DOI:
- https://doi.org/10.17188/1264364
Citation Formats
Materials Data on Ga4Fe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264364.
Materials Data on Ga4Fe3 by Materials Project. United States. doi:https://doi.org/10.17188/1264364
2020.
"Materials Data on Ga4Fe3 by Materials Project". United States. doi:https://doi.org/10.17188/1264364. https://www.osti.gov/servlets/purl/1264364. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1264364,
title = {Materials Data on Ga4Fe3 by Materials Project},
abstractNote = {Fe3Ga4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to four equivalent Fe and eight Ga atoms. All Fe–Fe bond lengths are 2.57 Å. There are a spread of Fe–Ga bond distances ranging from 2.61–2.65 Å. In the second Fe site, Fe is bonded in a 7-coordinate geometry to one Fe and seven Ga atoms. The Fe–Fe bond length is 2.75 Å. There are a spread of Fe–Ga bond distances ranging from 2.46–2.52 Å. In the third Fe site, Fe is bonded in a 11-coordinate geometry to three Fe and eight Ga atoms. Both Fe–Fe bond lengths are 2.57 Å. There are a spread of Fe–Ga bond distances ranging from 2.51–2.70 Å. In the fourth Fe site, Fe is bonded in a 9-coordinate geometry to two Fe and seven Ga atoms. There are a spread of Fe–Ga bond distances ranging from 2.48–2.58 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Fe and four equivalent Ga atoms. There are two shorter (2.93 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five Fe and five Ga atoms. There are one shorter (2.75 Å) and four longer (2.92 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 6-coordinate geometry to six Fe and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.73–3.12 Å. In the fourth Ga site, Ga is bonded in a 6-coordinate geometry to five Fe and four Ga atoms. The Ga–Ga bond length is 2.60 Å.},
doi = {10.17188/1264364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}