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DOE OSTI · 1186670

Materials Data on Sc3SnB by Materials Project

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Abstract

SnBSc3 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 Sn atoms. Both Sc–B bond lengths are 2.33 Å. All Sc–Sn bond lengths are 3.29 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 SnSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Sn is bonded to twelve equivalent Sc atoms to form SnSc12 cuboctahedra that share corners with twelve equivalent SnSc12 cuboctahedra, faces with six equivalent SnSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra.

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36 MATERIALS SCIENCEB-Sc-Sncrystal structureSc3SnB

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2020-07-16. Materials Data on Sc3SnB by Materials Project. https://doi.org/10.17188/1186670

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36 MATERIALS SCIENCE↗