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DOE OSTI · 1674473

Materials Data on LiAcO3 by Materials Project

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Abstract

LiAcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.96 Å. Ac is bonded to twelve equivalent O atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Ac–O bond lengths are 2.77 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Ac atoms.

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36 MATERIALS SCIENCEAc-Li-Ocrystal structureLiAcO3

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2020-05-03. Materials Data on LiAcO3 by Materials Project. https://doi.org/10.17188/1674473

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