U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoFe2 by Materials Project
Abstract
HoFe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.99–3.03 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1102099
- 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-Ho; HoFe2; crystal structure
- OSTI Identifier:
- 1672178
- DOI:
- https://doi.org/10.17188/1672178
Citation Formats
Materials Data on HoFe2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1672178.
Materials Data on HoFe2 by Materials Project. United States. doi:https://doi.org/10.17188/1672178
2018.
"Materials Data on HoFe2 by Materials Project". United States. doi:https://doi.org/10.17188/1672178. https://www.osti.gov/servlets/purl/1672178. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1672178,
title = {Materials Data on HoFe2 by Materials Project},
abstractNote = {HoFe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Ho–Fe bond distances ranging from 2.99–3.03 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.59 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded to six equivalent Ho and six Fe atoms to form a mixture of corner, edge, and face-sharing FeHo6Fe6 cuboctahedra.},
doi = {10.17188/1672178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}