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DOE OSTI · 1186664

Materials Data on Sc3BPb by Materials Project

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Abstract

PbBSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted linear geometry to two equivalent B and four equivalent Pb atoms. Both Sc–B bond lengths are 2.34 Å. All Sc–Pb bond lengths are 3.32 Å. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent PbSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Pb is bonded to twelve equivalent Sc atoms to form PbSc12 cuboctahedra that share corners with twelve equivalent PbSc12 cuboctahedra, faces with six equivalent PbSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

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36 MATERIALS SCIENCEB-Pb-Sccrystal structureSc3BPb

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2020-07-15. Materials Data on Sc3BPb by Materials Project. https://doi.org/10.17188/1186664

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36 MATERIALS SCIENCE↗