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

Abstract

Sr(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are a spread of Sr–Mg bond distances ranging from 3.18–3.59 Å. There are three shorter (3.29 Å) and six longer (3.30 Å) Sr–Al bond lengths. 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 3.09–3.37 Å. There are a spread of Mg–Al bond distances ranging from 3.06–3.14 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to one Sr, five Mg, and five Al atoms. There are two shorter (3.11 Å) and two longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.83–3.27 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to one Sr, five Mg, and five Al atoms. There are two shorter (3.19 Å) and two longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.94–3.24 Å. Inmore » the fourth Mg site, Mg is bonded in a 7-coordinate geometry to one Sr, three equivalent Mg, and twelve Al atoms. There are a spread of Mg–Al bond distances ranging from 3.11–3.27 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 3.09 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.33 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Sr, eight Mg, and three Al atoms. There are one shorter (2.66 Å) and two longer (2.79 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 2.74 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to one Sr, seven Mg, and three Al atoms. There are one shorter (2.77 Å) and one longer (2.85 Å) Al–Al bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-1187115
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; Sr(Mg4Al3)4; Al-Mg-Sr
OSTI Identifier:
1688942
DOI:
https://doi.org/10.17188/1688942

Citation Formats

The Materials Project. Materials Data on Sr(Mg4Al3)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688942.
The Materials Project. Materials Data on Sr(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1688942
The Materials Project. 2019. "Materials Data on Sr(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1688942. https://www.osti.gov/servlets/purl/1688942. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1688942,
title = {Materials Data on Sr(Mg4Al3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are a spread of Sr–Mg bond distances ranging from 3.18–3.59 Å. There are three shorter (3.29 Å) and six longer (3.30 Å) Sr–Al bond lengths. 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 3.09–3.37 Å. There are a spread of Mg–Al bond distances ranging from 3.06–3.14 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to one Sr, five Mg, and five Al atoms. There are two shorter (3.11 Å) and two longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.83–3.27 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to one Sr, five Mg, and five Al atoms. There are two shorter (3.19 Å) and two longer (3.21 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.94–3.24 Å. In the fourth Mg site, Mg is bonded in a 7-coordinate geometry to one Sr, three equivalent Mg, and twelve Al atoms. There are a spread of Mg–Al bond distances ranging from 3.11–3.27 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 3.09 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.33 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one Sr, eight Mg, and three Al atoms. There are one shorter (2.66 Å) and two longer (2.79 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 2.74 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to one Sr, seven Mg, and three Al atoms. There are one shorter (2.77 Å) and one longer (2.85 Å) Al–Al bond lengths.},
doi = {10.17188/1688942},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}