Materials Data on Ba5Al2In2IrClO13 by Materials Project

Kristin Persson
Ba5IrIn2Al2O13Cl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to nine O2- and three equivalent Cl1- atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent BaCl3O9 cuboctahedra, edges with six equivalent AlO4 tetrahedra, and faces with two equivalent InO6 octahedra. There are six shorter (2.99 Å) and three longer (3.43 Å) Ba–O bond lengths. All...
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