View EntryDate of entry : 08/11/2010

Incommensurate modulated structure of BaMnF4 with monoclinic symmetry at 100
and 210K.

Sciau, Ph.; Lapasset, J.; Grebille, D.; Berar, J.F. Acta Cryst. B 44 108 - 116 (1988)

[ B-IncStrDB ID: 182EHLnvm ]
Submitted by : System [B-IncStrDB]CIF File

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Chemical Properties

Structural Formula Sum: Ba1 F4 Mn1   [Help]
Weight: 268.3 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 6.01 Å  [Help]
b: 30.26(6) Å  [Help]
c: 8.44(2) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1535(5) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name (H-M): A 21 1 1   [Help]

Symmetry operations of the space group [Help]   

Space Group Name: X21(α00)0   [Help]
Number of Formula Units: 4   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 6.711 &mm;  [Help]
Intensity Measure Temperature: 100 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.   [Help]
Structure factors calc. details: Gaussian integration   [Help]
# of observed reflections: 4321   [Help]
Residual factor for the observed reflns.: 0.0451   [Help]
Refinement Special Details:
Anisotropic temperature factors refined for reflections with 0.38
WARNING: The published thermal displacement parameters, Biso, have been
converted to Uiso.

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 100 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)