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Materials Data on Sr4Al6WO16 by Materials Project

Sr4WAl6O16 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Sr2+ is bonded to seven O2- atoms to form SrO7 hexagonal pyramids that share corners with six equivalent SrO7 hexagonal pyramids, a cornercorner with one WO4 tetrahedra, and edges with six equivalent AlO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.40–2.73 Å. W6+ is bonded to four equivalent O2- atoms to form WO4 tetrahedra that share corners with four equivalent SrO7 hexagonal pyramids. All W–O bond lengths are 1.81 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with four equivalent SrO7 hexagonal pyramids. All Al–O bond lengths are 1.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Sr2+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sr4Al6WO16 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗