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DOE OSTI · 1317170

Materials Data on BiAuO2 by Materials Project

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Abstract

AuBiO2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Au1+ is bonded in a linear geometry to two O2- atoms. Both Au–O bond lengths are 2.05 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.69 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au1+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi3Au tetrahedra. In the second O2- site, O2- is bonded to one Au1+ and three equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi3Au tetrahedra.

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36 MATERIALS SCIENCEAu-Bi-OBiAuO2crystal structure

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2020-07-23. Materials Data on BiAuO2 by Materials Project. https://doi.org/10.17188/1317170

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