Materials Data on ZrBr2 by Materials Project
ZrBr2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing ZrBr5 square pyramids. There are a spread of Zr–Br bond distances ranging from 2.67–3.20 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Zr2+ atoms.
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