U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho7FeI12 by Materials Project
Abstract
Ho7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Fe and five I atoms to form a mixture of distorted edge and corner-sharing HoFeI5 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Ho–Fe bond length is 2.59 Å. There are a spread of Ho–I bond distances ranging from 3.08–3.50 Å. In the second Ho site, Ho is bonded to six equivalent I atoms to form edge-sharing HoI6 octahedra. All Ho–I bond lengths are 3.03 Å. Fe is bonded in an octahedral geometry to six equivalent Ho atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a 3-coordinate geometry to three equivalent Ho atoms.
- Publication Date:
- Other Number(s):
- mp-567566
- 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-I; Ho7FeI12; crystal structure
- OSTI Identifier:
- 1273931
- DOI:
- https://doi.org/10.17188/1273931
Citation Formats
Materials Data on Ho7FeI12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273931.
Materials Data on Ho7FeI12 by Materials Project. United States. doi:https://doi.org/10.17188/1273931
2020.
"Materials Data on Ho7FeI12 by Materials Project". United States. doi:https://doi.org/10.17188/1273931. https://www.osti.gov/servlets/purl/1273931. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1273931,
title = {Materials Data on Ho7FeI12 by Materials Project},
abstractNote = {Ho7FeI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to one Fe and five I atoms to form a mixture of distorted edge and corner-sharing HoFeI5 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Ho–Fe bond length is 2.59 Å. There are a spread of Ho–I bond distances ranging from 3.08–3.50 Å. In the second Ho site, Ho is bonded to six equivalent I atoms to form edge-sharing HoI6 octahedra. All Ho–I bond lengths are 3.03 Å. Fe is bonded in an octahedral geometry to six equivalent Ho atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three Ho atoms. In the second I site, I is bonded in a 3-coordinate geometry to three equivalent Ho atoms.},
doi = {10.17188/1273931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}