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DOE OSTI · 1278383

Materials Data on AlHO2 by Materials Project

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Abstract

AlOOH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two AlOOH sheets oriented in the (0, 0, 1) direction. Al3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Al–O bond distances ranging from 1.89–1.96 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Al3+ and one H1+ atom.

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36 MATERIALS SCIENCEAl-H-OAlHO2crystal structure

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2020-07-22. Materials Data on AlHO2 by Materials Project. https://doi.org/10.17188/1278383

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