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Title: Materials Data on RbMg6Al by Materials Project

Abstract

RbMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Al atoms to form a mixture of face and corner-sharing RbMg10Al2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.45–3.56 Å. Both Rb–Al bond lengths are 3.50 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Rb, six Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.17–3.53 Å. The Mg–Al bond length is 2.93 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are two shorter (3.29 Å) and four longer (3.34 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent Al atoms. There are one shorter (3.29 Å) and one longer (3.41 Å) Mg–Mg bond lengths. Both Mg–Al bond lengths are 3.12 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb and eight Mg atoms. Al is bonded in a 8-coordinate geometrymore » to two equivalent Rb and six Mg atoms.« less

Publication Date:
Other Number(s):
mp-1023304
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; RbMg6Al; Al-Mg-Rb
OSTI Identifier:
1672067
DOI:
https://doi.org/10.17188/1672067

Citation Formats

The Materials Project. Materials Data on RbMg6Al by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672067.
The Materials Project. Materials Data on RbMg6Al by Materials Project. United States. doi:https://doi.org/10.17188/1672067
The Materials Project. 2019. "Materials Data on RbMg6Al by Materials Project". United States. doi:https://doi.org/10.17188/1672067. https://www.osti.gov/servlets/purl/1672067. Pub date:Wed Oct 23 00:00:00 EDT 2019
@article{osti_1672067,
title = {Materials Data on RbMg6Al by Materials Project},
author = {The Materials Project},
abstractNote = {RbMg6Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to ten Mg and two equivalent Al atoms to form a mixture of face and corner-sharing RbMg10Al2 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.45–3.56 Å. Both Rb–Al bond lengths are 3.50 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Rb, six Mg, and one Al atom. There are a spread of Mg–Mg bond distances ranging from 3.17–3.53 Å. The Mg–Al bond length is 2.93 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. There are two shorter (3.29 Å) and four longer (3.34 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent Al atoms. There are one shorter (3.29 Å) and one longer (3.41 Å) Mg–Mg bond lengths. Both Mg–Al bond lengths are 3.12 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb and eight Mg atoms. Al is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.},
doi = {10.17188/1672067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}