View EntryDate of entry : 08/11/2010


Refinement of the incommensurate crystal structure of NaNO2 in
(3+1)-Dimensional Space Groups.

Kucharczyk, D.; Paciorek, W.A. Acta Cryst. A 41 466 - 469 (1985)

[ B-IncStrDB ID: 662Evyxhf ]
 
Submitted by : System [B-IncStrDB]CIF File

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NaNO2_MOD

Chemical Properties

Structural Formula Sum: N1 Na1 O2   [Help]
Weight: 69 Daltons  [Help]

Crystallographic Properties

Exp. Crystal Type of Struc.: mod   [Help]
a: 3.66(4) Å  [Help]
b: 5.65(8) Å  [Help]
c: 5.365(1) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 110.9(2) Å3  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): I 2 m m   [Help]
Space Group Name: I2mm(α00)ss0   [Help]
Number of Formula Units: 2   [Help]

  •  Additional Crystal Information   

Experimental Data

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 and occupational modulations:Fourier series. 1st-order harmonics.   [Help]
Total # of reflections: 214   [Help]
Refinement Special Details:
Modulation of N and O atoms constrained to be equal.

WARNING: The published thermal displacement parameters have been converted to
U,s. The calculated standard uncertainties (s.u.) have been based uniquely on
the published ones without considering the s.u. of any other quantity involved
in such conversion.

WARNING: The published thermal displacement parameters, Biso, have been
converted to Uiso.
  [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)