Materials Data on Ba5Bi3 by Materials Project
Ba5Bi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to six equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing BaBi6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ba–Bi bond lengths are 3.76 Å. In the second Ba site, Ba is bonded in a 3-coordinate geometry to five equivalent Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.55–4.25 Å. Bi is bonded in a 9-coordinate geometry to nine Ba atoms.
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