skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mg30Al24Ag19 by Materials Project

Abstract

Mg30Ag19Al24 is beta Plutonium-derived structured and crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Ag and four Al atoms. There are a spread of Mg–Ag bond distances ranging from 2.98–3.23 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.12 Å. In the second Mg site, Mg is bonded in a distorted linear geometry to two Ag atoms. There are one shorter (2.67 Å) and one longer (2.94 Å) Mg–Ag bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two Ag and four equivalent Al atoms. There are one shorter (2.67 Å) and one longer (2.95 Å) Mg–Ag bond lengths. There are two shorter (3.13 Å) and two longer (3.14 Å) Mg–Al bond lengths. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to four Ag and four equivalent Al atoms. There are two shorter (2.86 Å) and two longer (3.11 Å) Mg–Ag bond lengths. All Mg–Al bond lengths are 3.23 Å. In the fifth Mg site, Mg is bonded in a 2-coordinate geometry to fourmore » Ag and eight Al atoms. There are two shorter (2.88 Å) and two longer (3.07 Å) Mg–Ag bond lengths. There are four shorter (3.08 Å) and four longer (3.17 Å) Mg–Al bond lengths. There are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to six Mg, two equivalent Ag, and four Al atoms. Both Ag–Ag bond lengths are 2.90 Å. There are two shorter (2.59 Å) and two longer (2.75 Å) Ag–Al bond lengths. In the second Ag site, Ag is bonded in a 12-coordinate geometry to six Mg, one Ag, and five Al atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Al bond distances ranging from 2.70–3.24 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four Mg, one Ag, and seven Al atoms. There are a spread of Ag–Al bond distances ranging from 2.71–3.02 Å. In the fourth Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. In the fifth Ag site, Ag is bonded in a 12-coordinate geometry to two equivalent Mg, two equivalent Ag, and eight Al atoms. There are a spread of Ag–Al bond distances ranging from 2.55–3.08 Å. In the sixth Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Mg, five Ag, and three Al atoms. There are one shorter (2.74 Å) and two longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to five Mg, four Ag, and three Al atoms. There are one shorter (2.93 Å) and one longer (3.07 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Mg, five Ag, and three Al atoms. The Al–Al bond length is 2.68 Å.« less

Publication Date:
Other Number(s):
mp-570806
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; Mg30Al24Ag19; Ag-Al-Mg
OSTI Identifier:
1275917
DOI:
https://doi.org/10.17188/1275917

Citation Formats

The Materials Project. Materials Data on Mg30Al24Ag19 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1275917.
The Materials Project. Materials Data on Mg30Al24Ag19 by Materials Project. United States. doi:https://doi.org/10.17188/1275917
The Materials Project. 2019. "Materials Data on Mg30Al24Ag19 by Materials Project". United States. doi:https://doi.org/10.17188/1275917. https://www.osti.gov/servlets/purl/1275917. Pub date:Tue Oct 22 00:00:00 EDT 2019
@article{osti_1275917,
title = {Materials Data on Mg30Al24Ag19 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg30Ag19Al24 is beta Plutonium-derived structured and crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Ag and four Al atoms. There are a spread of Mg–Ag bond distances ranging from 2.98–3.23 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.12 Å. In the second Mg site, Mg is bonded in a distorted linear geometry to two Ag atoms. There are one shorter (2.67 Å) and one longer (2.94 Å) Mg–Ag bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two Ag and four equivalent Al atoms. There are one shorter (2.67 Å) and one longer (2.95 Å) Mg–Ag bond lengths. There are two shorter (3.13 Å) and two longer (3.14 Å) Mg–Al bond lengths. In the fourth Mg site, Mg is bonded in a 4-coordinate geometry to four Ag and four equivalent Al atoms. There are two shorter (2.86 Å) and two longer (3.11 Å) Mg–Ag bond lengths. All Mg–Al bond lengths are 3.23 Å. In the fifth Mg site, Mg is bonded in a 2-coordinate geometry to four Ag and eight Al atoms. There are two shorter (2.88 Å) and two longer (3.07 Å) Mg–Ag bond lengths. There are four shorter (3.08 Å) and four longer (3.17 Å) Mg–Al bond lengths. There are six inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to six Mg, two equivalent Ag, and four Al atoms. Both Ag–Ag bond lengths are 2.90 Å. There are two shorter (2.59 Å) and two longer (2.75 Å) Ag–Al bond lengths. In the second Ag site, Ag is bonded in a 12-coordinate geometry to six Mg, one Ag, and five Al atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Al bond distances ranging from 2.70–3.24 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four Mg, one Ag, and seven Al atoms. There are a spread of Ag–Al bond distances ranging from 2.71–3.02 Å. In the fourth Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. In the fifth Ag site, Ag is bonded in a 12-coordinate geometry to two equivalent Mg, two equivalent Ag, and eight Al atoms. There are a spread of Ag–Al bond distances ranging from 2.55–3.08 Å. In the sixth Ag site, Ag is bonded in a cuboctahedral geometry to twelve equivalent Mg atoms. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four Mg, five Ag, and three Al atoms. There are one shorter (2.74 Å) and two longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to five Mg, four Ag, and three Al atoms. There are one shorter (2.93 Å) and one longer (3.07 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Mg, five Ag, and three Al atoms. The Al–Al bond length is 2.68 Å.},
doi = {10.17188/1275917},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}