View EntryDate of entry : 08/11/2010

Modulated structure of (Ta0.72Nb0.28)Te4.
Kucharczyk, D.; Budkowski, A.; Boswell, F.W.; Prodan, A.; Marinkovic, V. Acta Cryst. B 46 153 - 159 (1990)

[ B-IncStrDB ID: 872E9Pb1p ]
 
Submitted by : System [B-IncStrDB]CIF File

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Ta0.72Nb0.28Te4_REFRNCE

Chemical Properties

Structural Formula Sum: Nb0.28 Ta0.72 Te4   [Help]
Weight: 666.7 Daltons  [Help]

Crystallographic Properties

a: 6.512(3) Å  [Help]
b: 6.512(3) Å  [Help]
c: 6.818(5) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 289.1(3) Å3  [Help]
Crystal System: tetragonal   [Help]
Space Group Name (H-M): P 4/m c c   [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 2   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 33.887 &mm;  [Help]
Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]

  •  Additional Experimental Information   

Refinement Properties

Residual factor for the observed reflns.: 0.065   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 293 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 0.71069 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   


Ta0.72Nb0.28Te4_MOD

Chemical Properties

Structural Formula Sum: Nb0.28 Ta0.72 Te4   [Help]
Weight: 666.7 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 13.024(6) Å  [Help]
b: 13.024(6) Å  [Help]
c: 6.818(5) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1156.5(11) Å3  [Help]
Crystal System: tetragonal   [Help]
Space Group Name (H-M): P 4/n c c   [Help]

Symmetry operations of the space group [Help]   

Space Group Name: P4/ncc(00γ)0000   [Help]
Number of Formula Units: 8   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 33.887 &mm;  [Help]
Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]
Max Order of Satellite Reflections: 1   [Help]

  •  Additional Experimental Information   

Refinement Properties

Modulation function desc.: Displacive modulation:Fourier series. 1st-order harmonics.   [Help]
Structure factors calc. details: Bessel functions   [Help]
# of observed reflections: 1534   [Help]
Residual factor for the observed reflns.: 0.058   [Help]
Refinement Special Details:
Commensurate structure described within the superspace formalism.
Global phase fixed at t=0.
  [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 293 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 0.71069 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)