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

Title: Materials Data on Mg16Al12Rh by Materials Project

Abstract

Mg16RhAl12 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 11-coordinate geometry to four Mg and seven Al atoms. There are a spread of Mg–Mg bond distances ranging from 2.97–3.14 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.35 Å. In the second Mg site, Mg is bonded in a distorted single-bond geometry to three equivalent Mg, one Rh, and twelve Al atoms. The Mg–Rh bond length is 2.59 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.34 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg, one Rh, and five Al atoms. Both Mg–Mg bond lengths are 3.04 Å. The Mg–Rh bond length is 2.95 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.17 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are two shorter (3.06 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are three shorter (3.03 Å) and two longer (3.09 Å) Mg–Al bond lengths. In themore » fifth Mg site, Mg is bonded in a 2-coordinate geometry to three Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.88–3.07 Å. Rh is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms. All Rh–Al bond lengths are 2.76 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to nine Mg and three Al atoms. There are one shorter (2.67 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 2.80 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Rh, and three Al atoms. There are one shorter (2.63 Å) and one longer (2.66 Å) Al–Al bond lengths.« less

Publication Date:
Other Number(s):
mp-1185703
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; Mg16Al12Rh; Al-Mg-Rh
OSTI Identifier:
1723193
DOI:
https://doi.org/10.17188/1723193

Citation Formats

The Materials Project. Materials Data on Mg16Al12Rh by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1723193.
The Materials Project. Materials Data on Mg16Al12Rh by Materials Project. United States. doi:https://doi.org/10.17188/1723193
The Materials Project. 2019. "Materials Data on Mg16Al12Rh by Materials Project". United States. doi:https://doi.org/10.17188/1723193. https://www.osti.gov/servlets/purl/1723193. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1723193,
title = {Materials Data on Mg16Al12Rh by Materials Project},
author = {The Materials Project},
abstractNote = {Mg16RhAl12 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 11-coordinate geometry to four Mg and seven Al atoms. There are a spread of Mg–Mg bond distances ranging from 2.97–3.14 Å. There are a spread of Mg–Al bond distances ranging from 3.02–3.35 Å. In the second Mg site, Mg is bonded in a distorted single-bond geometry to three equivalent Mg, one Rh, and twelve Al atoms. The Mg–Rh bond length is 2.59 Å. There are a spread of Mg–Al bond distances ranging from 2.97–3.34 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg, one Rh, and five Al atoms. Both Mg–Mg bond lengths are 3.04 Å. The Mg–Rh bond length is 2.95 Å. There are a spread of Mg–Al bond distances ranging from 2.91–3.17 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. There are two shorter (3.06 Å) and two longer (3.09 Å) Mg–Mg bond lengths. There are three shorter (3.03 Å) and two longer (3.09 Å) Mg–Al bond lengths. In the fifth Mg site, Mg is bonded in a 2-coordinate geometry to three Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.88–3.07 Å. Rh is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms. All Rh–Al bond lengths are 2.76 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to nine Mg and three Al atoms. There are one shorter (2.67 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 2.80 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Rh, and three Al atoms. There are one shorter (2.63 Å) and one longer (2.66 Å) Al–Al bond lengths.},
doi = {10.17188/1723193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}