U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy6Mn23 by Materials Project
Abstract
Dy6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.05 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Dy and nine Mn atoms to form distorted MnDy3Mn9 cuboctahedra that share corners with twelve MnDy3Mn9 cuboctahedra and faces with twelve MnDy4Mn8 cuboctahedra. There are six shorter (2.46 Å) and three longer (2.58 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.53 Å. In the third Mn site, Mn is bonded to four equivalent Dy and eight Mn atoms to form a mixture of face and corner-sharing MnDy4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.62 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Dy and ten Mn atoms. All Mn–Mn bond lengths are 2.92 Å.
- Publication Date:
- Other Number(s):
- mp-1192635
- 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; Dy-Mn; Dy6Mn23; crystal structure
- OSTI Identifier:
- 1732317
- DOI:
- https://doi.org/10.17188/1732317
Citation Formats
Materials Data on Dy6Mn23 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732317.
Materials Data on Dy6Mn23 by Materials Project. United States. doi:https://doi.org/10.17188/1732317
2020.
"Materials Data on Dy6Mn23 by Materials Project". United States. doi:https://doi.org/10.17188/1732317. https://www.osti.gov/servlets/purl/1732317. Pub date:Fri Jun 05 04:00:00 UTC 2020
@article{osti_1732317,
title = {Materials Data on Dy6Mn23 by Materials Project},
abstractNote = {Dy6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.94–3.05 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Dy and nine Mn atoms to form distorted MnDy3Mn9 cuboctahedra that share corners with twelve MnDy3Mn9 cuboctahedra and faces with twelve MnDy4Mn8 cuboctahedra. There are six shorter (2.46 Å) and three longer (2.58 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.53 Å. In the third Mn site, Mn is bonded to four equivalent Dy and eight Mn atoms to form a mixture of face and corner-sharing MnDy4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.62 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Dy and ten Mn atoms. All Mn–Mn bond lengths are 2.92 Å.},
doi = {10.17188/1732317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}