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DOE OSTI · 1319009

Materials Data on AlBiO3 by Materials Project

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Abstract

BiAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Al–O bond lengths are 2.25 Å. Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are three shorter (2.10 Å) and two longer (2.42 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to three equivalent Al3+ and one Bi3+ atom to form a mixture of corner and edge-sharing OAl3Bi tetrahedra.

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36 MATERIALS SCIENCEAl-Bi-OAlBiO3crystal structure

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2020-07-23. Materials Data on AlBiO3 by Materials Project. https://doi.org/10.17188/1319009

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