View EntryDate of entry : 08/11/2010

Study of the incommensurately modulated structure of Cs2CdBr4 by
single-crystal diffraction.

Speziali, N.L.; Chapuis, G. Acta Cryst. B 45 20 - 26 (1989)

[ B-IncStrDB ID: 432E08oB9 ]
Submitted by : System [B-IncStrDB]CIF File

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Chemical Properties

Structural Formula Sum: Br4 Cd1 Cs2   [Help]
Weight: 697.8 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 10.205(4) Å  [Help]
b: 7.887(3) Å  [Help]
c: 13.925(7) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1120.8(8) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P n m a   [Help]
Space Group Name: Pnma(α00)0ss   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 81.622 &mm;  [Help]
Intensity Measure Temperature: 245 K  [Help]
Radiation Type: Cu Kα   [Help]
Radiation Wavelength: 1.54178 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: Gaussian integration   [Help]
# of observed reflections: 578   [Help]
Residual factor for the observed reflns.: 0.054   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 245 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 1.54178 Å  [Help]

  •  Additional Diffraction Data Information   

  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)