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Title: Materials Data on La8MgAl7O24 by Materials Project

Abstract

MgLa8Al7O24 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.00 Å. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, a faceface with one MgO6 octahedra, and faces with seven AlO6 octahedra. There are a spread of La–O bond distances ranging from 2.70–2.72 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent AlO6 octahedra, and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.84 Å) and four longer (1.93 Å) Al–O bond length. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six AlO6 octahedra and faces with eight equivalent LaO12more » cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.90 Å) and two longer (1.92 Å) Al–O bond length. In the third Al site, Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Mg, four equivalent La, and one Al atom. In the second O site, O is bonded in a distorted linear geometry to four equivalent La and two Al atoms. In the third O site, O is bonded in a distorted linear geometry to four equivalent La and two Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-997590
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; La8MgAl7O24; Al-La-Mg-O
OSTI Identifier:
1317256
DOI:
https://doi.org/10.17188/1317256

Citation Formats

The Materials Project. Materials Data on La8MgAl7O24 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317256.
The Materials Project. Materials Data on La8MgAl7O24 by Materials Project. United States. doi:https://doi.org/10.17188/1317256
The Materials Project. 2020. "Materials Data on La8MgAl7O24 by Materials Project". United States. doi:https://doi.org/10.17188/1317256. https://www.osti.gov/servlets/purl/1317256. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1317256,
title = {Materials Data on La8MgAl7O24 by Materials Project},
author = {The Materials Project},
abstractNote = {MgLa8Al7O24 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.00 Å. La is bonded to twelve O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, a faceface with one MgO6 octahedra, and faces with seven AlO6 octahedra. There are a spread of La–O bond distances ranging from 2.70–2.72 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with four equivalent AlO6 octahedra, and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.84 Å) and four longer (1.93 Å) Al–O bond length. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.90 Å) and two longer (1.92 Å) Al–O bond length. In the third Al site, Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one Mg, four equivalent La, and one Al atom. In the second O site, O is bonded in a distorted linear geometry to four equivalent La and two Al atoms. In the third O site, O is bonded in a distorted linear geometry to four equivalent La and two Al atoms.},
doi = {10.17188/1317256},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}