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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).
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).
- Source :
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Inorganic Chemistry . 6/17/2013, Vol. 52 Issue 12, p6905-6915. 11p. - Publication Year :
- 2013
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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=6A742(2) Å, b = 4.0716(1) Å, c = 6.9426(2) Å, wR2 = 0.033, 305 F² 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(l) Å, c = 11.400(3) A, wRz = 0.078, 354 -F² values, 20 variable parameters for SrNiGe, and a = 5.969(4) Å, b = 4.195(l) Å, c = 11.993(5) Å, wR2 = 0.048, 393 F² 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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00201669
- Volume :
- 52
- Issue :
- 12
- Database :
- Academic Search Index
- Journal :
- Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 89413643
- Full Text :
- https://doi.org/10.1021/ic302681t