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Title: Materials Data on MgAl2O4 by Materials Project

Abstract

MgAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Mg–O bond lengths are 1.96 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent MgO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.94 Å. O2- is bonded to one Mg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing OMgAl3 trigonal pyramids.

Publication Date:
Other Number(s):
mp-3536
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; MgAl2O4; Al-Mg-O
OSTI Identifier:
1206986
DOI:
https://doi.org/10.17188/1206986

Citation Formats

The Materials Project. Materials Data on MgAl2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206986.
The Materials Project. Materials Data on MgAl2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1206986
The Materials Project. 2020. "Materials Data on MgAl2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1206986. https://www.osti.gov/servlets/purl/1206986. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1206986,
title = {Materials Data on MgAl2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Mg–O bond lengths are 1.96 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent MgO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.94 Å. O2- is bonded to one Mg2+ and three equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing OMgAl3 trigonal pyramids.},
doi = {10.17188/1206986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}