Materials Data on Ba(InCu)2 by Materials Project

Ba(CuIn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent In atoms. All Ba–Cu bond lengths are 3.47 Å. All Ba–In bond lengths are 3.71 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Ba, one Cu, and four equivalent In atoms. The Cu–Cu bond length is 2.66 Å. All Cu–In bond lengths are 2.78 Å. In is bonded to four equivalent Ba and four equivalent Cu atoms to form a mixture of distorted corner, edge, and face-sharing InBa4Cu4 tetrahedra.