U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HoMn12 by Materials Project
Abstract
HoMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twenty Mn atoms. There are twelve shorter (3.02 Å) and eight longer (3.15 Å) Ho–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ho and ten Mn atoms to form a mixture of distorted edge, corner, and face-sharing MnHo2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.68 Å. In the second Mn site, Mn is bonded to two equivalent Ho and ten Mn atoms to form a mixture of edge, corner, and face-sharing MnHo2Mn10 cuboctahedra. There are two shorter (2.35 Å) and four longer (2.56 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Ho and thirteen Mn atoms. There are one shorter (2.23 Å) and four longer (2.83 Å) Mn–Mn bond lengths.
- Publication Date:
- Other Number(s):
- mp-14015
- 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; Ho-Mn; HoMn12; crystal structure
- OSTI Identifier:
- 1189880
- DOI:
- https://doi.org/10.17188/1189880
Citation Formats
Materials Data on HoMn12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189880.
Materials Data on HoMn12 by Materials Project. United States. doi:https://doi.org/10.17188/1189880
2020.
"Materials Data on HoMn12 by Materials Project". United States. doi:https://doi.org/10.17188/1189880. https://www.osti.gov/servlets/purl/1189880. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1189880,
title = {Materials Data on HoMn12 by Materials Project},
abstractNote = {HoMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twenty Mn atoms. There are twelve shorter (3.02 Å) and eight longer (3.15 Å) Ho–Mn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ho and ten Mn atoms to form a mixture of distorted edge, corner, and face-sharing MnHo2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.38–2.68 Å. In the second Mn site, Mn is bonded to two equivalent Ho and ten Mn atoms to form a mixture of edge, corner, and face-sharing MnHo2Mn10 cuboctahedra. There are two shorter (2.35 Å) and four longer (2.56 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Ho and thirteen Mn atoms. There are one shorter (2.23 Å) and four longer (2.83 Å) Mn–Mn bond lengths.},
doi = {10.17188/1189880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}