View EntryDate of entry : 08/11/2010


The low-temperature phase transition sequence of the Halide Perovskite
Tetramethylammonium Trichlorogermanate(II) and the structure of its
incommensurately modulated δ-phase.

Futterer, K.; Depmeier, W.; Petricek, V. Acta Cryst. B 51 768 - 779 (1995)

[ B-IncStrDB ID: 552EF3lwf ]
 
Submitted by : System [B-IncStrDB]CIF File

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GeCl3_REFRNCE

Chemical Properties

Structural Formula Sum: C4 H0 Cl3 Ge1 N1   [Help]
Weight: 241 Daltons  [Help]

Crystallographic Properties

a: 13.083(6) Å  [Help]
b: 8.841(4) Å  [Help]
c: 9.027(4) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1044.1(8) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): P n a m   [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 4   [Help]
  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 3.632 &mm;  [Help]
Intensity Measure Temperature: 190 K  [Help]
Radiation Type: Mo Kα   [Help]
Radiation Wavelength: 0.71069 Å  [Help]
Radiation source: X-ray tube   [Help]

  •  Additional Experimental Information   

Refinement Properties

# of observed reflections: 410   [Help]
Residual factor for the observed reflns.: 0.0485   [Help]
factors for all reflns.: 0.0635   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 190 K  [Help]
Radiation source: X-ray tube   [Help]
Radiation Wavelength: 0.71069 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   


GeCl3_MOD

Chemical Properties

Structural Formula Sum: C4 H0 Cl3 Ge1 N1   [Help]
Weight: 241 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 13.083(6) Å  [Help]
b: 8.841(4) Å  [Help]
c: 9.027(4) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 1044.1(8) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name : P n a m (0 β 0) 0 0 s   [Help]
Space Group Name (H-M): P n a m   [Help]
Space Group Name: Pnam(0β0)00s   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 3.632 &mm;  [Help]
Intensity Measure Temperature: 190 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]
# of observed reflections: 944   [Help]
Residual factor for the observed reflns.: 0.0387   [Help]
factors for all reflns.: 0.052   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 190 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)