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Materials Data on BaSbF5 by Materials Project

BaSbF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.70–2.92 Å. Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 2.01–2.13 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Sb3+ atom.

36 MATERIALS SCIENCE↗