Materials Data on Zr6NiCl15 by Materials Project
Ni(Zr2Cl5)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two nickel molecules and two Zr2Cl5 frameworks. In each Zr2Cl5 framework, Zr+2.17+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are four shorter (2.57 Å) and one longer (2.66 Å) Zr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.17+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Zr+2.17+ atoms.
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