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DOE OSTI · 1290031

Materials Data on Li2BiO3 by Materials Project

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Abstract

Li2BiO3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with five equivalent BiO4 tetrahedra and corners with seven equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.14 Å. Bi is bonded to four O atoms to form BiO4 tetrahedra that share corners with two equivalent BiO4 tetrahedra and corners with ten equivalent LiO4 tetrahedra. There are a spread of Bi–O bond distances ranging from 2.09–2.26 Å. There are two inequivalent O sites. In the first O site, O is bonded to three equivalent Li and one Bi atom to form corner-sharing OLi3Bi tetrahedra. In the second O site, O is bonded to two equivalent Li and two equivalent Bi atoms to form corner-sharing OLi2Bi2 tetrahedra.

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36 MATERIALS SCIENCEBi-Li-Ocrystal structureLi2BiO3

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2020-05-04. Materials Data on Li2BiO3 by Materials Project. https://doi.org/10.17188/1290031

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