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Materials Data on Ta2Cl5 by Materials Project

Ta2Cl5 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ta is bonded to five Cl atoms to form distorted corner-sharing TaCl5 square pyramids. There are a spread of Ta–Cl bond distances ranging from 2.45–2.66 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Cl site, Cl is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Cl site, Cl is bonded in a bent 150 degrees geometry to two equivalent Ta atoms.

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