Home Kristallstrukturen und elektronische Eigenschaften von Ge1/3NbS2 und Ge1/4NbS2 / Crystal Structures and Electronic Properties of Ge1/3NbS2 and Ge1/4NbS2
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Kristallstrukturen und elektronische Eigenschaften von Ge1/3NbS2 und Ge1/4NbS2 / Crystal Structures and Electronic Properties of Ge1/3NbS2 and Ge1/4NbS2

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Published/Copyright: June 2, 2014
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Zeitschrift für Naturforschung B
From the journal Zeitschrift für Naturforschung B Volume 57 Issue 12

Single crystals of the intercalation compounds Ge1/3NbS2 andGe1/4NbS2 have been prepared by heating of the elements at 1073 K and by chemical transport with iodine at 923 to 1073 K. Their crystal structures were determined by single crystal X-ray methods.Ge1/3NbS2 (P63/mcm, a=5.767(1), c=13.518(3) Å, Z = 6) crystallizes with a superstructureof 2H-NbS2, characterized by layers of edge-sharing NbS6 trigonal prisms. The Ge atoms in the octahedral voids of the van der Waals gap are sixfold coordinated by sulfur. The NbS2-sublattice of Ge1/4NbS2 (P63/mmc, a = 3.339(1), c = 37.326(7) Å , Z = 6) represents a new 6H-polymorph. Herein, the Ge atoms are located either in the centers of the octahedral voids (c. n. = 6) or shifted from this position along [001] (c. n. = 3 + 3). The unusual electronic state and the bonding situation of germanium in the van der Waal gaps of NbS2 and the metal-metal bonding are studied in detail by using DFT band structure calculations.

Keywords: Niobium Sulfide; Intercalation; Germanium; Crystal Structure; Electronic Structure
Received: 2002-9-2
Published Online: 2014-6-2
Published in Print: 2002-12-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

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  1. Zur Kenntnis von Calciumtetrahydrogen-hexaoxo-diperiodattetrahydrat CaH4I2O10 · 4 H2O: Kristallstruktur, Schwingungsspektren und thermische Analyse / On Calciumtetrahydrogen-hexaoxo-diperiodatetetrahydrate CaH4I2O10 · 4 H2O: Crystal Structure, Vibrational Spectroscopy and Thermal Analysis
  2. Mg5Pd10Si16 und Mg5Pt10Si16, Magnesium-Platinmetall-Silicide mit Tetraedern und gekappten Tetraedern aus Silicium-Atomen / Mg5Pd10Si16 and Mg5Pt10Si16, Magnesium Platinum Metal Silicides with Si4 Tetrahedra and Si12 Truncated Tetrahedra
  3. Synthesis and Crystal Structure of Zr5Rh2In4 and Hf5Rh2In4 – New Ternary Indides with Lu5Ni2In4 Type Structure
  4. Crystal Structure of the Ternary Arsenide CeNi1.91As1.94
  5. Kristallstrukturen und elektronische Eigenschaften von Ge1/3NbS2 und Ge1/4NbS2 / Crystal Structures and Electronic Properties of Ge1/3NbS2 and Ge1/4NbS2
  6. Ni(C2(COO)2)(H2O)4 · 2 H2O und Ni(C2(COO)2)(H2O)2: zwei Koordinationspolymere mit dem Acetylendicarboxylat-Dianion / Ni(C2(COO)2)(H2O)4 · 2 H2O and Ni(C2 (COO)2)(H2O)2: Two Co-ordination Polymers of the Acetylenedicarboxylate Dianion
  7. Reactions in Molten Alkalimetal Polychalcogenides: What Happens in the Melt? A Study of the Reactions in the System K-Nb-S Using Differential Scanning Calorimetry, Infrared Spectroscopy, and X-Ray Powder Diffraction
  8. Synthesis and X-Ray Crystal Structure Determination of Thiotrithiazyl Iododichloride, S4N3ICl2
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  11. New Ternary Phosphide La7Pd17P12: Preparation and Crystal Structure
  12. NdClSeO3 and ErClSeO3: First Chloride-Selenites of the Rare Earth Elements
  13. Ca(SCN)2 and Ca(SCN)2 · 2 H2O: Crystal Structure, Thermal Behavior and Vibrational Spectroscopy
  14. Sulfidisch derivatisierte Oxodisilicate der schweren Lanthanide vom Formeltyp M4S3[Si2O7] (M = Gd - Tm) / Sulfide Derivatized Oxodisilicates of the Heavy Lanthanides with the Formula M4S3[Si2O7] (M = Gd - Tm)
  15. Novel Thioborates of Cesium: Cs3BS3 and Li2CsBS3
  16. Untersuchungen im System ScCl3 / K2CO3 / H2O: Synthese und Kristallstrukturen von K5[Sc(CO3)4] · 5 H2O und K7[Sc(CO3)4]CO3 · 9 H2O / Investigations on the System ScCl3 / K2CO3 / H2O: Synthesis and Crystal Structures of K5[Sc(CO3)4] · 5 H2O and K7[Sc(CO3)4] CO3 · 9 H2O
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  18. A New Copper (II) Complex with the N,N'-Bis(antipyryl-4-methyl)-piperazine (BAMP) Ligand: [Cu(BAMP)](ClO4)2
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https://doi.org/10.1515/znb-2002-1205
Keywords for this article
Niobium Sulfide; Intercalation; Germanium; Crystal Structure; Electronic Structure

Articles in the same Issue

  1. Zur Kenntnis von Calciumtetrahydrogen-hexaoxo-diperiodattetrahydrat CaH4I2O10 · 4 H2O: Kristallstruktur, Schwingungsspektren und thermische Analyse / On Calciumtetrahydrogen-hexaoxo-diperiodatetetrahydrate CaH4I2O10 · 4 H2O: Crystal Structure, Vibrational Spectroscopy and Thermal Analysis
  2. Mg5Pd10Si16 und Mg5Pt10Si16, Magnesium-Platinmetall-Silicide mit Tetraedern und gekappten Tetraedern aus Silicium-Atomen / Mg5Pd10Si16 and Mg5Pt10Si16, Magnesium Platinum Metal Silicides with Si4 Tetrahedra and Si12 Truncated Tetrahedra
  3. Synthesis and Crystal Structure of Zr5Rh2In4 and Hf5Rh2In4 – New Ternary Indides with Lu5Ni2In4 Type Structure
  4. Crystal Structure of the Ternary Arsenide CeNi1.91As1.94
  5. Kristallstrukturen und elektronische Eigenschaften von Ge1/3NbS2 und Ge1/4NbS2 / Crystal Structures and Electronic Properties of Ge1/3NbS2 and Ge1/4NbS2
  6. Ni(C2(COO)2)(H2O)4 · 2 H2O und Ni(C2(COO)2)(H2O)2: zwei Koordinationspolymere mit dem Acetylendicarboxylat-Dianion / Ni(C2(COO)2)(H2O)4 · 2 H2O and Ni(C2 (COO)2)(H2O)2: Two Co-ordination Polymers of the Acetylenedicarboxylate Dianion
  7. Reactions in Molten Alkalimetal Polychalcogenides: What Happens in the Melt? A Study of the Reactions in the System K-Nb-S Using Differential Scanning Calorimetry, Infrared Spectroscopy, and X-Ray Powder Diffraction
  8. Synthesis and X-Ray Crystal Structure Determination of Thiotrithiazyl Iododichloride, S4N3ICl2
  9. Synthesis, Structural and Spectroscopic Characterization of the α,ω-Diammonioalkane Hexabromorhodates( III) [H3N(CH2)xNH3]2[H5O2][RhBr6]Br2 (x = 3, 4) – IR Spectra of [H5O2]+ Ions with Weak Solid State Interactions
  10. ortho-Lithiation of Benzene-1,2-dithiol: A Methodology for ortho-Functionalization of Benzene-1,2-dithiol
  11. New Ternary Phosphide La7Pd17P12: Preparation and Crystal Structure
  12. NdClSeO3 and ErClSeO3: First Chloride-Selenites of the Rare Earth Elements
  13. Ca(SCN)2 and Ca(SCN)2 · 2 H2O: Crystal Structure, Thermal Behavior and Vibrational Spectroscopy
  14. Sulfidisch derivatisierte Oxodisilicate der schweren Lanthanide vom Formeltyp M4S3[Si2O7] (M = Gd - Tm) / Sulfide Derivatized Oxodisilicates of the Heavy Lanthanides with the Formula M4S3[Si2O7] (M = Gd - Tm)
  15. Novel Thioborates of Cesium: Cs3BS3 and Li2CsBS3
  16. Untersuchungen im System ScCl3 / K2CO3 / H2O: Synthese und Kristallstrukturen von K5[Sc(CO3)4] · 5 H2O und K7[Sc(CO3)4]CO3 · 9 H2O / Investigations on the System ScCl3 / K2CO3 / H2O: Synthesis and Crystal Structures of K5[Sc(CO3)4] · 5 H2O and K7[Sc(CO3)4] CO3 · 9 H2O
  17. Polyol-Metall-Komplexe, 43 [1]. Galactarato-Komplexe mit Aluminium und Kupfer(II) / Polyol Metal Complexes, 43 [1]. Galactarato Complexes with Aluminium and Copper(II)
  18. A New Copper (II) Complex with the N,N'-Bis(antipyryl-4-methyl)-piperazine (BAMP) Ligand: [Cu(BAMP)](ClO4)2
  19. Synthesis and Characterisation of Na5[CoO2]CO3
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