View EntryDate of entry : 08/11/2010

Structural study of three modulated phases in Rb2ZnBr4.
Hogervorst, A.C.R.; Helmholdt, R.B. Acta Cryst. B 44 120 - 128 (1988)

[ B-IncStrDB ID: 772E43YaC ]
Submitted by : System [B-IncStrDB]CIF File

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Chemical Properties

Structural Formula Sum: Br4 Rb2 Zn1   [Help]
Weight: 555.9 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 13.198(5) Å  [Help]
b: 7.594(4) Å  [Help]
c: 9.614(3) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 963.6(7) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name : P c 21 n (0 0 γ) s -1 -1   [Help]
Space Group Name (H-M): P c 21 n   [Help]
Space Group Name: Pc21n(00γ)s00   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 29.084 &mm;  [Help]
Intensity Measure Temperature: 140(3) K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-Xay 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.   [Help]
Total # of reflections: 4496   [Help]
factors for all reflns.: 0.119   [Help]
Refinement Special Details:
Commensurate structure within the superspace formalism.
Global phase unknown.

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 140(3) K  [Help]
Radiation source: X-Xay 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)