DOE OSTI · 1201912
Materials Data on Al2CuO4 by Materials Project
Abstract
CuAl2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Cu–O bond lengths are 1.97 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 1.93 Å. O2- is bonded to one Cu2+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Cu tetrahedra.
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2020-07-16. Materials Data on Al2CuO4 by Materials Project. https://doi.org/10.17188/1201912
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