View EntryDate of entry : 08/11/2010


X-ray investigation of the incommensurate modulated structure of
Bi2+xSr3-xFe2O9+δ.

Perez, O.; Leligny, H.; Grebille, D.; Labbe, Ph.; Groult, D.; Raveau, B. J. Phys.:Condens. Matter 7 10003 - 10014 (1995)

[ B-IncStrDB ID: 272EhrsaN ]
 
Submitted by : System [B-IncStrDB]CIF File

Bi2+x_MOD

Chemical Properties

Structural Formula Sum: Bi2.409 Fe2 O11 Sr2.591   [Help]
Weight: 1018.1 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 5.488(1) Å  [Help]
b: 5.475(1) Å  [Help]
c: 31.509(5) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 946.7(3) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): F m m m   [Help]
Space Group Name: Xmmm(0β0)00s   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 65.183 &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 harmonics.
Occupational modulation:Fourier series. Up to 2nd-order harmonics.
Modulation of temperature factors:Fourier series. Up to 2nd-order harmonics.
  [Help]

Structure factors calc. details: Gaussian integration   [Help]
# of observed reflections: 632   [Help]
Residual factor for the observed reflns.: 0.068   [Help]
factors for all reflns.: 0.083   [Help]
Refinement Special Details:
Bi/Sr1 not reported in published data.

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.
  [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)