U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2FeH6 by Materials Project
Abstract
Mg2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Mg–H bond lengths are 2.27 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Fe–H bond lengths are 1.56 Å. H1- is bonded to four equivalent Mg2+ and one Fe2+ atom to form a mixture of distorted corner, edge, and face-sharing HMg4Fe square pyramids.
- Publication Date:
- Other Number(s):
- mp-23804
- 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-H-Mg; Mg2FeH6; crystal structure
- OSTI Identifier:
- 1199741
- DOI:
- https://doi.org/10.17188/1199741
Citation Formats
Materials Data on Mg2FeH6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199741.
Materials Data on Mg2FeH6 by Materials Project. United States. doi:https://doi.org/10.17188/1199741
2020.
"Materials Data on Mg2FeH6 by Materials Project". United States. doi:https://doi.org/10.17188/1199741. https://www.osti.gov/servlets/purl/1199741. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1199741,
title = {Materials Data on Mg2FeH6 by Materials Project},
abstractNote = {Mg2FeH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent FeH6 octahedra. All Mg–H bond lengths are 2.27 Å. Fe2+ is bonded to six equivalent H1- atoms to form FeH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Fe–H bond lengths are 1.56 Å. H1- is bonded to four equivalent Mg2+ and one Fe2+ atom to form a mixture of distorted corner, edge, and face-sharing HMg4Fe square pyramids.},
doi = {10.17188/1199741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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