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DOE OSTI · 1298631

Materials Data on Bi4(BO4)3 by Materials Project

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Abstract

Bi4(BO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with eight equivalent BiO6 pentagonal pyramids. All B–O bond lengths are 1.48 Å. Bi+3.75+ is bonded to six equivalent O2- atoms to form distorted BiO6 pentagonal pyramids that share corners with six equivalent BO4 tetrahedra and edges with three equivalent BiO6 pentagonal pyramids. There are three shorter (2.24 Å) and three longer (2.42 Å) Bi–O bond lengths. O2- is bonded in a distorted single-bond geometry to one B3+ and two equivalent Bi+3.75+ atoms.

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36 MATERIALS SCIENCEB-Bi-OBi4(BO4)3crystal structure

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2020-05-02. Materials Data on Bi4(BO4)3 by Materials Project. https://doi.org/10.17188/1298631

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