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Materials Data on BaIn(Cu3O4)2 by Materials Project

BaIn(Cu3O4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four barium molecules and one In(Cu3O4)2 framework. In the In(Cu3O4)2 framework, Cu+1.83+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.96 Å. In3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All In–O bond lengths are 2.31 Å. O2- is bonded to three equivalent Cu+1.83+ and one In3+ atom to form a mixture of distorted edge and corner-sharing OInCu3 tetrahedra.

36 MATERIALS SCIENCE↗