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DOE OSTI · 1693163

Materials Data on ThReO3 by Materials Project

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Abstract

ThReO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to twelve equivalent O atoms to form ThO12 cuboctahedra that share corners with twelve equivalent ThO12 cuboctahedra, faces with six equivalent ThO12 cuboctahedra, and faces with eight equivalent ReO6 octahedra. All Th–O bond lengths are 2.83 Å. Re is bonded to six equivalent O atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent ThO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 2.00 Å. O is bonded in a distorted linear geometry to four equivalent Th and two equivalent Re atoms.

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36 MATERIALS SCIENCEcrystal structureO-Re-ThThReO3

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2020-05-03. Materials Data on ThReO3 by Materials Project. https://doi.org/10.17188/1693163

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