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Title: Materials Data on RbMgAlF6 by Materials Project

Abstract

RbMgAlF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form distorted RbF6 octahedra that share corners with six equivalent MgF6 octahedra and corners with six equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 66–73°. There are a spread of Rb–F bond distances ranging from 2.91–3.32 Å. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with two equivalent MgF6 octahedra, corners with four equivalent AlF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 42–73°. There are two shorter (1.98 Å) and four longer (2.02 Å) Mg–F bond lengths. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra, corners with four equivalent MgF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 33–73°. There is four shorter (1.81 Å) and two longer (1.86 Å) Al–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two equivalent Al3+ atoms. In the second F1- site,more » F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Mg2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Mg2+, and one Al3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1219581
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; RbMgAlF6; Al-F-Mg-Rb
OSTI Identifier:
1681368
DOI:
https://doi.org/10.17188/1681368

Citation Formats

The Materials Project. Materials Data on RbMgAlF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681368.
The Materials Project. Materials Data on RbMgAlF6 by Materials Project. United States. doi:https://doi.org/10.17188/1681368
The Materials Project. 2020. "Materials Data on RbMgAlF6 by Materials Project". United States. doi:https://doi.org/10.17188/1681368. https://www.osti.gov/servlets/purl/1681368. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1681368,
title = {Materials Data on RbMgAlF6 by Materials Project},
author = {The Materials Project},
abstractNote = {RbMgAlF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form distorted RbF6 octahedra that share corners with six equivalent MgF6 octahedra and corners with six equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 66–73°. There are a spread of Rb–F bond distances ranging from 2.91–3.32 Å. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with two equivalent MgF6 octahedra, corners with four equivalent AlF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 42–73°. There are two shorter (1.98 Å) and four longer (2.02 Å) Mg–F bond lengths. Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with two equivalent AlF6 octahedra, corners with four equivalent MgF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 33–73°. There is four shorter (1.81 Å) and two longer (1.86 Å) Al–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Rb1+ and two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Mg2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+, one Mg2+, and one Al3+ atom.},
doi = {10.17188/1681368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}