View EntryDate of entry : 08/11/2010

Incommensurately Modulated Structure of K2SeO4.
Yamada, N.; Ikeda, T. J. Phys. Soc. Jpn. 53 2555 - 2564 (1984)

[ B-IncStrDB ID: 492E3r0gG ]
 
Submitted by : System [B-IncStrDB]CIF File

KSE_MOD

Chemical Properties

Structural Formula Sum: K2 O4 Se1   [Help]
Weight: 221.2 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 7.661(4) Å  [Help]
b: 10.466(8) Å  [Help]
c: 6.003(3) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 481.3(5) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P n a m   [Help]
Space Group Name: Pnam(α00)0ss   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 9.424 &mm;  [Help]
Experimental Special Details: Modulation wave vector not given   [Help]
Intensity Measure Temperature: 113 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: 10 points Gaussian integration   [Help]
Residual factor for the observed reflns.: 0.082   [Help]
Experimental Special Details: Modulation wave vector not given   [Help]
Refinement Special Details:
WARNING: The published thermal displacement parameters have been converted to
U,s. The calculated standard uncertainties (s.u.) have been based uniquely on
the published ones without considering the s.u. of any other quantity involved
in such conversion.
  [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 113 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)