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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GeWO4 by Materials Project

WGeO4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. W4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.77 Å) and three longer (1.83 Å) W–O bond length. Ge4+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Ge–O bond lengths are 2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W4+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one W4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeWO4 by Materials Project

WGeO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. W4+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of W–O bond distances ranging from 1.88–2.04 Å. Ge4+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (1.97 Å) and two longer (2.30 Å) Ge–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one W4+ and two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeWO4 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↗
DOE OSTI2020

Materials Data on GeWO4 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↗