Materials Data on BiAuO2 by Materials Project
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.
36 MATERIALS SCIENCE↗