U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(MnAl)6 by Materials Project
Abstract
Y(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.21 Å) and eight longer (3.32 Å) Y–Mn bond lengths. There are a spread of Y–Al bond distances ranging from 2.92–3.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y, four Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn4Al6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.52 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and four longer (2.63 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded to two equivalent Y, four equivalent Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn4Al6 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.62–2.68 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, six Mn, and three Al atoms. There are one shorter (2.69 Å) and two longer (2.80 Å) Al–Al bond lengths.more »
- Publication Date:
- Other Number(s):
- mp-1216200
- 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; Al-Mn-Y; Y(MnAl)6; crystal structure
- OSTI Identifier:
- 1651551
- DOI:
- https://doi.org/10.17188/1651551
Citation Formats
Materials Data on Y(MnAl)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1651551.
Materials Data on Y(MnAl)6 by Materials Project. United States. doi:https://doi.org/10.17188/1651551
2019.
"Materials Data on Y(MnAl)6 by Materials Project". United States. doi:https://doi.org/10.17188/1651551. https://www.osti.gov/servlets/purl/1651551. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1651551,
title = {Materials Data on Y(MnAl)6 by Materials Project},
abstractNote = {Y(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.21 Å) and eight longer (3.32 Å) Y–Mn bond lengths. There are a spread of Y–Al bond distances ranging from 2.92–3.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Y, four Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn4Al6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.52 Å) Mn–Mn bond lengths. There are two shorter (2.53 Å) and four longer (2.63 Å) Mn–Al bond lengths. In the second Mn site, Mn is bonded to two equivalent Y, four equivalent Mn, and six Al atoms to form a mixture of distorted face, edge, and corner-sharing MnY2Mn4Al6 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.62–2.68 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, six Mn, and three Al atoms. There are one shorter (2.69 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Y, six Mn, and three Al atoms. There are one shorter (2.79 Å) and two longer (3.00 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, six Mn, and four Al atoms.},
doi = {10.17188/1651551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}