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      From one to three dimensions: corrugated ∞(1)[NiGe] ribbons as a building block in alkaline earth metal Ae/Ni/Ge phases with crystal structure and chemical bonding in AeNiGe (Ae = Mg, Sr, Ba).

      1 , ,
      Inorganic chemistry
      American Chemical Society (ACS)

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          Abstract

          The new equiatomic nickel germanides MgNiGe, SrNiGe, and BaNiGe have been synthesized from the elements in sealed tantalum tubes using a high-frequency furnace. The compounds were investigated by X-ray diffraction both on powders and single crystals. MgNiGe crystallizes with TiNiSi-type structure, space group Pnma, Z = 4, a = 6.4742(2) Å, b = 4.0716(1) Å, c = 6.9426(2) Å, wR2 = 0.033, 305 F(2) values, 20 variable parameters. SrNiGe and BaNiGe are isotypic and crystallize with anti-SnFCl-type structure (Z = 4, Pnma) with a = 5.727(1) Å, b = 4.174(1) Å, c = 11.400(3) Å, wR2 = 0.078, 354 F(2) values, 20 variable parameters for SrNiGe, and a = 5.969(4) Å, b = 4.195(1) Å, c = 11.993(5) Å, wR2 = 0.048, 393 F(2) values, 20 variable parameters for BaNiGe. The increase of the cation size leads to a reduction of the dimensionality of the [NiGe] polyanions. In the MgNiGe structure the nickel and germanium atoms build a ∞(3)[NiGe] network with magnesium atoms in the channels. In SrNiGe and BaNiGe the ∞(1)[NiGe] ribbons are separated by strontium/barium atoms, whereas in the known CaNiGe structure the ribbons are fused to two-dimmensional atom slabs. The crystal chemistry and chemical bonding in AeNiGe (Ae = Mg, Ca, Sr, Ba) are discussed. The experimental results are reconciled with electronic structure calculations performed using the tight-binding linear muffin-tin orbital (TB-LMTO-ASA) method.

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          Author and article information

          Journal
          Inorg Chem
          Inorganic chemistry
          American Chemical Society (ACS)
          1520-510X
          0020-1669
          Jun 17 2013
          : 52
          : 12
          Affiliations
          [1 ] Department of Chemistry, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany.
          Article
          10.1021/ic302681t
          23741964
          f682c916-36ef-4769-8573-3212c307c0f2
          History

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