View EntryDate of entry : 08/11/2010


Structural analysis of the incommensurate and Lock-in phases of
Tetramethylammonium Tetrachlorozincate (II),[N(CH3)4]2[ZnCl4].

Madariaga, G.; Zuniga, F.J.; Perez-Mato, J.M.; Tello, M.J. Acta Cryst. B 43 356 - 368 (1987)

[ B-IncStrDB ID: 12Ees1le ]
 
Submitted by : System [B-IncStrDB]CIF File

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TMATC-Zn_MOD

Chemical Properties

Common Name: TMATC-Zn   [Help]
Structural Formula Sum: C8 H0 Cl4 N2 Zn1   [Help]
Weight: 331.3 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 8.987(2) Å  [Help]
b: 15.503(2) Å  [Help]
c: 12.258(2) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1707.9(5) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P m c n   [Help]
Space Group Name: Pmcn(00γ)s00   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 7.569 &mm;  [Help]
Intensity Measure Temperature: 286.4(2) K  [Help]
Radiation Type: Ni-filtered Cu Kα   [Help]
Radiation Wavelength: 1.54178 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]
Total # of reflections: 475   [Help]
# of observed reflections: 304   [Help]
Residual factor for the observed reflns.: 0.077   [Help]
Refinement Special Details: N-C distances restricted with penalty functions.   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 286.4(2) K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 1.54178 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)