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Title: Materials Data on Mg16Al12Pb by Materials Project

Abstract

Mg16Al12Pb 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 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.16 Å. There are a spread of Mg–Al bond distances ranging from 3.09–3.12 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, five Al, and one Pb atom. There are a spread of Mg–Mg bond distances ranging from 3.15–3.18 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.27 Å. The Mg–Pb bond length is 3.11 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, five Al, and one Pb atom. There are two shorter (3.15 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.96–3.15 Å. The Mg–Pb bond length is 3.58 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, twelve Al, and one Pb atom. There are a spread of Mg–Al bondmore » distances ranging from 3.18–3.27 Å. The Mg–Pb bond length is 3.15 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 3.21 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.19 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and two longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.80 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, three Al, and one Pb atom. There are one shorter (2.76 Å) and one longer (2.85 Å) Al–Al bond lengths. The Al–Pb bond length is 3.16 Å. Pb is bonded in a 10-coordinate geometry to seven Mg and six equivalent Al atoms.« less

Publication Date:
Other Number(s):
mp-1185678
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; Mg16Al12Pb; Al-Mg-Pb
OSTI Identifier:
1728997
DOI:
https://doi.org/10.17188/1728997

Citation Formats

The Materials Project. Materials Data on Mg16Al12Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728997.
The Materials Project. Materials Data on Mg16Al12Pb by Materials Project. United States. doi:https://doi.org/10.17188/1728997
The Materials Project. 2020. "Materials Data on Mg16Al12Pb by Materials Project". United States. doi:https://doi.org/10.17188/1728997. https://www.osti.gov/servlets/purl/1728997. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1728997,
title = {Materials Data on Mg16Al12Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Mg16Al12Pb 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 10-coordinate geometry to four Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.16 Å. There are a spread of Mg–Al bond distances ranging from 3.09–3.12 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, five Al, and one Pb atom. There are a spread of Mg–Mg bond distances ranging from 3.15–3.18 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.27 Å. The Mg–Pb bond length is 3.11 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, five Al, and one Pb atom. There are two shorter (3.15 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.96–3.15 Å. The Mg–Pb bond length is 3.58 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to three equivalent Mg, twelve Al, and one Pb atom. There are a spread of Mg–Al bond distances ranging from 3.18–3.27 Å. The Mg–Pb bond length is 3.15 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 3.21 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.19 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are one shorter (2.70 Å) and two longer (2.75 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.80 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, three Al, and one Pb atom. There are one shorter (2.76 Å) and one longer (2.85 Å) Al–Al bond lengths. The Al–Pb bond length is 3.16 Å. Pb is bonded in a 10-coordinate geometry to seven Mg and six equivalent Al atoms.},
doi = {10.17188/1728997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}