View EntryDate of entry : 08/11/2010


Structure of the incommensurately modulated ε phase of the layered perovskite
[NH3(C3H7)]2MnCl4 (PAMC) at 130K.

Steurer, W.; Depmeier, W. Acta Cryst. B 45 555 - 562 (1989)

[ B-IncStrDB ID: 72EoWdCK ]
 
Submitted by : System [B-IncStrDB]CIF File

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MnCl4_MOD

Chemical Properties

Structural Formula Sum: C6 H20 Cl4 Mn1 N2   [Help]
Weight: 317 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 7.436(4) Å  [Help]
b: 7.13(6) Å  [Help]
c: 25.438(12) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1348.7(15) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): A b m a   [Help]

Symmetry operations of the space group [Help]   

Space Group Name: Aema(0β0)s00   [Help]
Number of Formula Units: 4   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 1.736 &mm;  [Help]
Intensity Measure Temperature: 130 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]

Total # of measured intensities in the _refln_ list   [Help]   

  •  Additional Experimental Information   

Refinement Properties

Modulation function desc.:
Displacive modulation:Fourier series. 1st-order harmonics.
Modulation of temperature factors:Fourier series. 1st-order harmonics.
  [Help]

Structure factors calc. details: Gaussian integration   [Help]
Total # of reflections: 1747   [Help]
factors for all reflns.: 0.05   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 130 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)