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DOE OSTI · 1319510

Materials Data on AlWO3 by Materials Project

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Abstract

WO3Al is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one aluminium molecule and one WO3 framework. In the WO3 framework, W3+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.00 Å) and two longer (2.05 Å) W–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms.

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36 MATERIALS SCIENCEAl-O-WAlWO3crystal structure

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2020-07-20. Materials Data on AlWO3 by Materials Project. https://doi.org/10.17188/1319510

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