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Title: Materials Data on MgAlO3 by Materials Project

Abstract

MgAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent O atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Mg–O bond lengths are 2.60 Å. 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 MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.84 Å. O is bonded in a distorted linear geometry to four equivalent Mg and two equivalent Al atoms.

Publication Date:
Other Number(s):
mp-1185841
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; MgAlO3; Al-Mg-O
OSTI Identifier:
1677906
DOI:
https://doi.org/10.17188/1677906

Citation Formats

The Materials Project. Materials Data on MgAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677906.
The Materials Project. Materials Data on MgAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1677906
The Materials Project. 2020. "Materials Data on MgAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1677906. https://www.osti.gov/servlets/purl/1677906. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1677906,
title = {Materials Data on MgAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent O atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Mg–O bond lengths are 2.60 Å. 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 MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.84 Å. O is bonded in a distorted linear geometry to four equivalent Mg and two equivalent Al atoms.},
doi = {10.17188/1677906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}