Materials Data on Ba5Sb3 by Materials Project
Ba5Sb3 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 in a 3-coordinate geometry to five equivalent Sb atoms. There are a spread of Ba–Sb bond distances ranging from 3.49–4.19 Å. In the second Ba site, Ba is bonded to six equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Ba–Sb bond lengths are 3.70 Å. Sb is bonded in a 9-coordinate geometry to nine Ba atoms.
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