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Title: Materials Data on Lu(Mg4Al3)4 by Materials Project

Abstract

Lu(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.38 Å. There are a spread of Mg–Al bond distances ranging from 3.06–3.13 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Lu, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.16–3.29 Å. The Mg–Lu bond length is 3.60 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.23 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Mg, one Lu, and twelve Al atoms. The Mg–Lu bond length is 3.30 Å. There are a spread of Mg–Al bond distances ranging from 3.15–3.26 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Lu, and five Al atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Mg–Mg bond lengths. The Mg–Lu bond length is 3.11 Å.more » There are a spread of Mg–Al bond distances ranging from 2.82–3.13 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.34 Å. Lu is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are six shorter (3.20 Å) and three longer (3.21 Å) Lu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to eight Mg, one Lu, and three Al atoms. There are one shorter (2.69 Å) and two longer (2.73 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.76 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Lu, and three Al atoms. There are one shorter (2.71 Å) and one longer (2.76 Å) Al–Al bond lengths.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1185483
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; Lu(Mg4Al3)4; Al-Lu-Mg
OSTI Identifier:
1672284
DOI:
10.17188/1672284

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Lu(Mg4Al3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672284.
Persson, Kristin, & Project, Materials. Materials Data on Lu(Mg4Al3)4 by Materials Project. United States. doi:10.17188/1672284.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Lu(Mg4Al3)4 by Materials Project". United States. doi:10.17188/1672284. https://www.osti.gov/servlets/purl/1672284. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672284,
title = {Materials Data on Lu(Mg4Al3)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Lu(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.38 Å. There are a spread of Mg–Al bond distances ranging from 3.06–3.13 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Lu, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.16–3.29 Å. The Mg–Lu bond length is 3.60 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.23 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to three equivalent Mg, one Lu, and twelve Al atoms. The Mg–Lu bond length is 3.30 Å. There are a spread of Mg–Al bond distances ranging from 3.15–3.26 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Lu, and five Al atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Mg–Mg bond lengths. The Mg–Lu bond length is 3.11 Å. There are a spread of Mg–Al bond distances ranging from 2.82–3.13 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.34 Å. Lu is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are six shorter (3.20 Å) and three longer (3.21 Å) Lu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to eight Mg, one Lu, and three Al atoms. There are one shorter (2.69 Å) and two longer (2.73 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.76 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Lu, and three Al atoms. There are one shorter (2.71 Å) and one longer (2.76 Å) Al–Al bond lengths.},
doi = {10.17188/1672284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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