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Updated: Aug 19, 2026

Synthesis of Nine-atom Deltahedral Zintl Ions of Germanium and their Functionalization with Organic Groups
Published on: February 11, 2012
[(Zr6B)Cl11-xI2+x] (0< or = x < or = 6): a new mixed-halide structure with zigzag cains of clusters in multiply
M Köckerling1, J B Willems, P D Boyle
1Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA.
Abstract:
The new [(Zr6B)Cl11-xI2+x] phase (with 0 < or = x < or = 6) is obtained from reactions of ZrI4, ZrCl4, and elemental Zr and B for 2-4 weeks in sealed Ta tubing at 800-850 degrees C. Single crystals of [(Zr6B)Cl6.44(7)I6.56] have been characterized by X-ray diffraction at room temperature (orthorhombic Pbcn, Z = 4, a = 12.365(2) A, b = 15.485(3) A, c = 13.405(2) A). This structure contains zigzag chains of boron-centered (Zr6B) octahedra that are interconnected by Cl(i-i) halides. Further three-dimensional connectivity is achieved by I(a-a-a) bridges. The noncluster interconnecting two-bonded X(i) sites are occupied statistically by a mixture of Cl and I. For each site both positions were resolved. This structure forms within a phase width of 0 < or = x < or = 6 at temperatures between 800 and 850 degrees C. Crystals of this phase appear to be always multiply twinned.
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