Abstract
The incommensurately modulated structure of ζ-Zn 3− x Sb 2 was solved and refined versus X-ray single crystal diffraction data using a 3+1 dimensional superspace formalism. The compound crystallizes in the orthorhombic system in the 3+1 dimensional superspace group Pnna( α0)0 s0 with the cell parameters a=7.283(3) Å, b=15.398(5) Å, c=25.06(1) Å, q=(α,0,0) , α≈0.385. The structure features columns of intergrown icosahedra and columns of face sharing empty octahedra built up from Sb atoms. The Zn atoms are accommodated in tetrahedral interstices. The origin of the discommensuration and the relation between the modulation vector q and the chemical composition are explained.
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