View EntryDate of entry : 08/11/2010

Four dimensional crystallographic analysis of the incommensurate
modulation in a Bi2Sr2CaCu2O8 single crystal.

Kan, X.B.; Moss, S.C. Acta Cryst. B 48 122 - 134 (1992)

[ B-IncStrDB ID: 332EXVa1u ]
Submitted by : System [B-IncStrDB]CIF File

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Chemical Properties

Structural Formula Sum: Bi2.05 Ca0.75 Cu2 O8 Sr1.98   [Help]
Weight: 887 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 5.415(2) Å  [Help]
b: 5.421(2) Å  [Help]
c: 30.88(2) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 906.5(8) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): B b 2 b   [Help]
Space Group Name: Bb2b(0β0)000   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 58.982 &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: 2   [Help]

  •  Additional Experimental Information   

Refinement Properties

Modulation function desc.:
Displacive modulation:Fourier series. Up to 2nd-order harmonircs.
Modulation of Debye-Waller factors:Fourier series. Up to 2nd-order harmonics.

Structure factors calc. details: Gaussian integration   [Help]
# of observed reflections: 700   [Help]
factors for all reflns.: 0.073   [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.

WARNING: The published thermal displacement parameters, Biso, have been
converted to Uiso.

  •  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)