Materials Data on Ba3SbI3 by Materials Project
Ba3SbI3 crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Ba2+ is bonded to two equivalent Sb3- and four equivalent I1- atoms to form a mixture of edge and corner-sharing BaSb2I4 octahedra. The corner-sharing octahedral tilt angles are 2°. Both Ba–Sb bond lengths are 3.47 Å. There are two shorter (3.56 Å) and two longer (3.66 Å) Ba–I bond lengths. Sb3- is bonded to six equivalent Ba2+ atoms to form edge-sharing SbBa6 octahedra. I1- is bonded in a rectangular see-saw-like geometry to four equivalent Ba2+ atoms.
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