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DOE OSTI · 1710602

Materials Data on AcScO3 by Materials Project

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Abstract

AcScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Ac–O bond lengths are 2.92 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.06 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Sc3+ atoms.

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2020-05-03. Materials Data on AcScO3 by Materials Project. https://doi.org/10.17188/1710602

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