Materials Data on Bi12IrO20 by Materials Project
IrBi12O20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ir4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ir–O bond lengths are 1.95 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.12–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ir4+ and three equivalent Bi3+ atoms to form corner-sharing OBi3Ir tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms.
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