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Materials Data on BaIn4 by Materials Project

BaIn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to sixteen In atoms. There are eight shorter (3.85 Å) and eight longer (3.98 Å) Ba–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent In atoms. All In–In bond lengths are 3.01 Å. In the second In site, In is bonded in a 9-coordinate geometry to four equivalent Ba and five In atoms. The In–In bond length is 2.86 Å.

36 MATERIALS SCIENCE↗