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DOE OSTI · 1267401

Materials Data on ScBiO3 by Materials Project

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Abstract

BiScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.04 Å. Bi3+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Bi–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Sc3+ and four equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-O-Sccrystal structureScBiO3

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2020-07-14. Materials Data on ScBiO3 by Materials Project. https://doi.org/10.17188/1267401

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