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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1216200
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y(MnAl)6; Al-Mn-Y
OSTI Identifier:
1651551
DOI:
https://doi.org/10.17188/1651551

Citation Formats

The Materials Project. Materials Data on Y(MnAl)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651551.
The Materials Project. Materials Data on Y(MnAl)6 by Materials Project. United States. doi:https://doi.org/10.17188/1651551
The Materials Project. 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:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651551,
title = {Materials Data on Y(MnAl)6 by Materials Project},
author = {The 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}
}