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Title: Materials Data on Mg17Al11Si by Materials Project

Abstract

Mg17Al11Si is gamma-brass-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eleven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, four Al, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.08–3.17 Å. There are two shorter (3.00 Å) and two longer (3.18 Å) Mg–Al bond lengths. The Mg–Si bond length is 2.86 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.16 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, eleven Al, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.12–3.15 Å. There are a spread of Mg–Al bond distances ranging from 3.18–3.20 Å. The Mg–Si bond length is 3.20 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are fourmore » shorter (3.08 Å) and two longer (3.10 Å) Mg–Al bond lengths. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.12 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, four Al, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.04–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.13 Å. The Mg–Si bond length is 3.19 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, four Al, and one Si atom. There are three shorter (3.15 Å) and one longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.92–3.19 Å. The Mg–Si bond length is 2.95 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are two shorter (3.14 Å) and one longer (3.15 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.89–3.23 Å. In the ninth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg, five Al, and one Si atom. Both Mg–Mg bond lengths are 3.05 Å. There are three shorter (3.07 Å) and two longer (3.10 Å) Mg–Al bond lengths. The Mg–Si bond length is 3.09 Å. In the tenth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. The Mg–Mg bond length is 3.12 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.19 Å. In the eleventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.91–3.18 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg, two equivalent Al, and one Si atom. Both Al–Al bond lengths are 2.79 Å. The Al–Si bond length is 2.62 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.76 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Mg, two Al, and one Si atom. There are one shorter (2.71 Å) and one longer (2.73 Å) Al–Al bond lengths. The Al–Si bond length is 2.71 Å. In the fourth 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 one longer (2.74 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. The Al–Al bond length is 2.75 Å. In the sixth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Si is bonded in a 11-coordinate geometry to eight Mg and three Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1185751
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg17Al11Si; Al-Mg-Si
OSTI Identifier:
1710054
DOI:
https://doi.org/10.17188/1710054

Citation Formats

The Materials Project. Materials Data on Mg17Al11Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710054.
The Materials Project. Materials Data on Mg17Al11Si by Materials Project. United States. doi:https://doi.org/10.17188/1710054
The Materials Project. 2020. "Materials Data on Mg17Al11Si by Materials Project". United States. doi:https://doi.org/10.17188/1710054. https://www.osti.gov/servlets/purl/1710054. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1710054,
title = {Materials Data on Mg17Al11Si by Materials Project},
author = {The Materials Project},
abstractNote = {Mg17Al11Si is gamma-brass-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eleven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, four Al, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.08–3.17 Å. There are two shorter (3.00 Å) and two longer (3.18 Å) Mg–Al bond lengths. The Mg–Si bond length is 2.86 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.04–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.16 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg, eleven Al, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.12–3.15 Å. There are a spread of Mg–Al bond distances ranging from 3.18–3.20 Å. The Mg–Si bond length is 3.20 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are four shorter (3.08 Å) and two longer (3.10 Å) Mg–Al bond lengths. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.12 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, four Al, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.04–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.13 Å. The Mg–Si bond length is 3.19 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg, four Al, and one Si atom. There are three shorter (3.15 Å) and one longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.92–3.19 Å. The Mg–Si bond length is 2.95 Å. In the eighth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are two shorter (3.14 Å) and one longer (3.15 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.89–3.23 Å. In the ninth Mg site, Mg is bonded in a 10-coordinate geometry to four Mg, five Al, and one Si atom. Both Mg–Mg bond lengths are 3.05 Å. There are three shorter (3.07 Å) and two longer (3.10 Å) Mg–Al bond lengths. The Mg–Si bond length is 3.09 Å. In the tenth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. The Mg–Mg bond length is 3.12 Å. There are a spread of Mg–Al bond distances ranging from 2.90–3.19 Å. In the eleventh Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.91–3.18 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to eight Mg, two equivalent Al, and one Si atom. Both Al–Al bond lengths are 2.79 Å. The Al–Si bond length is 2.62 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.76 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to eight Mg, two Al, and one Si atom. There are one shorter (2.71 Å) and one longer (2.73 Å) Al–Al bond lengths. The Al–Si bond length is 2.71 Å. In the fourth 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 one longer (2.74 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. The Al–Al bond length is 2.75 Å. In the sixth Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Si is bonded in a 11-coordinate geometry to eight Mg and three Al atoms.},
doi = {10.17188/1710054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}