Materials Data on Ba2In by Materials Project
Ba2In is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 3-coordinate geometry to three equivalent In atoms. There are one shorter (3.73 Å) and two longer (3.79 Å) Ba–In bond lengths. In the second Ba site, Ba is bonded to four equivalent In atoms to form a mixture of distorted edge and corner-sharing BaIn4 tetrahedra. There are a spread of Ba–In bond distances ranging from 3.61–3.68 Å. In is bonded in a 7-coordinate geometry to seven Ba atoms.
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