View EntryDate of entry : 08/11/2010

The modulated structure of γ-Na2CO3 in a harmonic approximation.
van Aalst, W.; den Hollander, J.; Peterse, W.J.A.M.; de Wolff, P.M. Acta Cryst. B 32 47 - 58 (1976)

[ B-IncStrDB ID: 582EqAgoV ]
 
Submitted by : System [B-IncStrDB]CIF File

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NaCO_MOD

Chemical Properties

Structural Formula Sum: C1 Na2 O3   [Help]
Weight: 106 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 8.904(3) Å  [Help]
b: 5.239(2) Å  [Help]
c: 6.042(2) Å  [Help]
α: 90 °  [Help]
β: 101.35 °  [Help]
γ: 90 °  [Help]
Volume: 276.34(17) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name (H-M): C 1 2/m 1   [Help]
Space Group Name: C2/m(α0γ)0s   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Intensity Measure Temperature: 293 K  [Help]
Radiation Type: Mo Kα and Cu Kα   [Help]
Radiation source: X-ray tube   [Help]
Max Order of Satellite Reflections: 1   [Help]

Refinement Properties

Modulation function desc.: Displacive modulation:Fourier series. 1st-order harmonics.   [Help]
Structure factors calc. details: Bessel functions   [Help]
# of observed reflections: 1910   [Help]
Residual factor for the observed reflns.: 0.108   [Help]
factors for all reflns.: 0.07   [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: 293 K  [Help]
Radiation source: X-ray tube   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)