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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlWO4 by Materials Project

AlWO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with eight equivalent AlO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There are a spread of W–O bond distances ranging from 1.95–2.05 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There is five shorter (1.92 Å) and one longer (1.93 Å) Al–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W5+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W5+ and one Al3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one W5+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlWO3 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlWO3 by Materials Project

WAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W3+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with six equivalent AlO6 octahedra and corners with six equivalent WO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. There are three shorter (1.94 Å) and two longer (2.18 Å) W–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form distorted AlO6 octahedra that share corners with six equivalent WO5 trigonal bipyramids and edges with six equivalent AlO6 octahedra. All Al–O bond lengths are 2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent W3+ atoms. In the second O2- site, O2- is bonded to one W3+ and three equivalent Al3+ atoms to form a mixture of edge and corner-sharing OAl3W tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al(WO2)2 by Materials Project

Al(WO2)2 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six WO6 octahedra. There are four shorter (2.24 Å) and two longer (2.34 Å) W–O bond lengths. In the second W+2.50+ site, W+2.50+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent AlO4 tetrahedra and edges with six equivalent WO6 octahedra. All W–O bond lengths are 2.19 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with twelve WO6 octahedra. The corner-sharing octahedra tilt angles range from 47–60°. There is one shorter (1.79 Å) and three longer (1.80 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three W+2.50+ and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent W+2.50+ and one Al3+ atom.

36 MATERIALS SCIENCE↗