Title: Materials Data on Al2ZnO4 by Materials Project

Abstract

ZnAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Zn–O bond lengths are 1.98 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.93 Å. O2- is bonded to one Zn2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Zn tetrahedra.

Publication Date:
Other Number(s):
mp-2908
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Al-O-Zn; Al2ZnO4; crystal structure
OSTI Identifier:
1203151
DOI:
https://doi.org/10.17188/1203151

Citation Formats

Materials Data on Al2ZnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203151.
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Materials Data on Al2ZnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1203151
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2020. "Materials Data on Al2ZnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1203151. https://www.osti.gov/servlets/purl/1203151. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1203151,
title = {Materials Data on Al2ZnO4 by Materials Project},
abstractNote = {ZnAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Zn–O bond lengths are 1.98 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.93 Å. O2- is bonded to one Zn2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Zn tetrahedra.},
doi = {10.17188/1203151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1203151
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