HfSb_2-xTe_x. The second new compound on the quasi-binary section HfSb₂-HfTe₂ with different Sb-Sb interactions

Thus far, three different ribbons and layers of antimony atoms with various Sb-Sb bonds were found in Hf₅Sb₉, HfSb₂ and HfSbTe. We uncovered a new variant when trying to dope Hf₅Sb₉ with tellurium atoms, namely HfSb_2-xTe_x, with 0.4 ≤ x ≤ 0.7. HfSb_2-xTe_x adopts the monoclinic OsGe₂ type, space group C2/m, a = 10.5216(8) Aa, b = 3.7142(3) Aa, c = 8.5924(7) Aa, β = 11.571(1) ^circle, V = 292.05(4) Aa³ (Z = 4) when x = 0.5. This structure is composed of a layer of puckered six-membered rings of antimony atoms, with Sb-Sb distances of 2.82 and 3.12 Aa. The different antimony atom substructures are compared in this article. Independent of the exact Sb/Te ratio, monoclinic HfSb_2-xTe_x is predicted to be metallic, as are Hf₅Sb₉, HfSb₂ and orthorhombic HfSbTe. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)