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DOE OSTI · 1723337

Materials Data on ThWO3 by Materials Project

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Abstract

ThWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent O2- atoms to form ThO12 cuboctahedra that share corners with twelve equivalent ThO12 cuboctahedra, faces with six equivalent ThO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Th–O bond lengths are 2.92 Å. W2+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.07 Å. O2- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent W2+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Th-WThWO3

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2020-05-02. Materials Data on ThWO3 by Materials Project. https://doi.org/10.17188/1723337

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