Materials Data on YMn12 by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1198750
- Report Number(s):
- mp-22508
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; YMn12; Mn-Y
Citation Formats
The Materials Project. Materials Data on YMn12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198750.
The Materials Project. Materials Data on YMn12 by Materials Project. United States. https://doi.org/10.17188/1198750
The Materials Project. 2020.
"Materials Data on YMn12 by Materials Project". United States. https://doi.org/10.17188/1198750. https://www.osti.gov/servlets/purl/1198750.
@article{osti_1198750,
title = {Materials Data on YMn12 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1198750},
url = {https://www.osti.gov/biblio/1198750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}