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Title: Materials Data on Dy(AlCu)6 by Materials Project

Abstract

Dy(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.20 Å) and eight longer (3.30 Å) Dy–Cu bond lengths. There are a spread of Dy–Al bond distances ranging from 2.96–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Cu–Cu bond lengths. There are two shorter (2.52 Å) and four longer (2.64 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six Al atoms. There are a spread of Cu–Al bond distances ranging from 2.64–2.74 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, six Cu, and three Al atoms. There are one shorter (2.63 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Dy, sixmore » Cu, and three Al atoms. There are one shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, six Cu, and four Al atoms.« less

Publication Date:
Other Number(s):
mp-1225665
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; Dy(AlCu)6; Al-Cu-Dy
OSTI Identifier:
1677954
DOI:
https://doi.org/10.17188/1677954

Citation Formats

The Materials Project. Materials Data on Dy(AlCu)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677954.
The Materials Project. Materials Data on Dy(AlCu)6 by Materials Project. United States. doi:https://doi.org/10.17188/1677954
The Materials Project. 2019. "Materials Data on Dy(AlCu)6 by Materials Project". United States. doi:https://doi.org/10.17188/1677954. https://www.osti.gov/servlets/purl/1677954. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1677954,
title = {Materials Data on Dy(AlCu)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy(CuAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to twelve Cu and eight Al atoms. There are four shorter (3.20 Å) and eight longer (3.30 Å) Dy–Cu bond lengths. There are a spread of Dy–Al bond distances ranging from 2.96–3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four Cu, and six Al atoms. There are two shorter (2.52 Å) and two longer (2.55 Å) Cu–Cu bond lengths. There are two shorter (2.52 Å) and four longer (2.64 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six Al atoms. There are a spread of Cu–Al bond distances ranging from 2.64–2.74 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, six Cu, and three Al atoms. There are one shorter (2.63 Å) and two longer (2.83 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Dy, six Cu, and three Al atoms. There are one shorter (2.65 Å) and two longer (2.87 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, six Cu, and four Al atoms.},
doi = {10.17188/1677954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}