Materials Data on YMn12 by Materials Project
YMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Y–Mn bond distances ranging from 3.02–3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of face, edge, and corner-sharing MnY2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.36–2.57 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Y and thirteen Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.23–2.83 Å. In the third Mn site, Mn is bonded to two equivalent Y and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn10 cuboctahedra. Both Mn–Mn bond lengths are 2.69 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1198750
- Report Number(s):
- mp-22508
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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