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

Abstract

Pu(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 10-coordinate geometry to five Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.44 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.15 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Mg and five Al atoms. Both Mg–Mg bond lengths are 3.31 Å. There are a spread of Mg–Al bond distances ranging from 2.85–3.24 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, one Pu, and twelve Al atoms. The Mg–Pu bond length is 3.30 Å. There are a spread of Mg–Al bond distances ranging from 3.20–3.25 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Pu, and five Al atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Mg–Mg bond lengths. The Mg–Pu bond length is 3.11 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.10 Å. In themore » fifth Mg site, Mg is bonded in a 3-coordinate geometry to three Mg and four Al atoms. There are a spread of Mg–Al bond distances ranging from 2.98–3.22 Å. Pu is bonded in a 12-coordinate geometry to four Mg and nine Al atoms. There are three shorter (3.18 Å) and six longer (3.20 Å) Pu–Al bond lengths. 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 (2.69 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to six Mg, one Pu, and three Al atoms. Both Al–Al bond lengths are 2.77 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Pu, and three Al atoms. There are one shorter (2.70 Å) and one longer (2.77 Å) Al–Al bond lengths.« less

Publication Date:
Other Number(s):
mp-1186845
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; Pu(Mg4Al3)4; Al-Mg-Pu
OSTI Identifier:
1674496
DOI:
https://doi.org/10.17188/1674496

Citation Formats

The Materials Project. Materials Data on Pu(Mg4Al3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674496.
The Materials Project. Materials Data on Pu(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1674496
The Materials Project. 2020. "Materials Data on Pu(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1674496. https://www.osti.gov/servlets/purl/1674496. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1674496,
title = {Materials Data on Pu(Mg4Al3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu(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 10-coordinate geometry to five Mg and six Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.44 Å. There are a spread of Mg–Al bond distances ranging from 3.08–3.15 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Mg and five Al atoms. Both Mg–Mg bond lengths are 3.31 Å. There are a spread of Mg–Al bond distances ranging from 2.85–3.24 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg, one Pu, and twelve Al atoms. The Mg–Pu bond length is 3.30 Å. There are a spread of Mg–Al bond distances ranging from 3.20–3.25 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Pu, and five Al atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Mg–Mg bond lengths. The Mg–Pu bond length is 3.11 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.10 Å. In the fifth Mg site, Mg is bonded in a 3-coordinate geometry to three Mg and four Al atoms. There are a spread of Mg–Al bond distances ranging from 2.98–3.22 Å. Pu is bonded in a 12-coordinate geometry to four Mg and nine Al atoms. There are three shorter (3.18 Å) and six longer (3.20 Å) Pu–Al bond lengths. 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 (2.69 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to six Mg, one Pu, and three Al atoms. Both Al–Al bond lengths are 2.77 Å. In the third Al site, Al is bonded in a distorted q6 geometry to seven Mg, one Pu, and three Al atoms. There are one shorter (2.70 Å) and one longer (2.77 Å) Al–Al bond lengths.},
doi = {10.17188/1674496},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}