View EntryDate of entry : 08/11/2010

Structure of the incommensurate composite crystal (PbS)1.12VS2
Onoda, M.; Kato, K. Acta Cryst. B46 487 - 492 (1990)

[ B-IncStrDB ID: 1772EpsimA ]
 
Submitted by : System [B-IncStrDB]CIF File

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W-Matrix :: 1 : PbS

0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0

W-Matrix :: 2 : VSb

0 0 0 0
0 0 0 0
0 0 0 0
0 0 0 0

1013505039_2_REFRNCE (reference structure (VSb))

Chemical Properties

Structural Formula: (PbS)1.12VS2   [Help]

Crystallographic Properties

Crystal System: triclinic   [Help]


  •  Reference Structure Information   


1013505039_0_REFRNCE (reference structure (Global data))

Chemical Properties

Structural Formula: (PbS)1.12VS2   [Help]

Crystallographic Properties

Crystal System: triclinic   [Help]

Refinement Properties

Residual factor for the observed reflns.: 0.083   [Help]

  •  Additional Refinement Information   




1013505039_1_REFRNCE (reference structure (PbS))

Chemical Properties

Structural Formula: (PbS)1.12VS2   [Help]

Crystallographic Properties

Crystal System: triclinic   [Help]


  •  Reference Structure Information   


1013505039_0_MOD (modulated structure (Global data))

Chemical Properties

Structural Formula: (PbS)1.12VS2   [Help]

Crystallographic Properties

a: 5.7279(3) Å  [Help]
b: 5.7886(7) Å  [Help]
c: 23.939(2) Å  [Help]
α: 90 °  [Help]
β: 98.947 °  [Help]
γ: 90 °  [Help]

Symmetry operations of the space group [Help]   

Number of Formula Units: 4   [Help]

Refinement Properties

Residual factor for the observed reflns.: 0.059   [Help]

  •  Additional Refinement Information   



  •  Refinement Summary   


1013505039_1_MOD (modulated structure (PbS))

Chemical Properties

Structural Formula: (PbS)1.12VS2   [Help]

Crystallographic Properties

a: 5.7279(3) Å  [Help]
b: 5.7886(7) Å  [Help]
c: 23.939(2) Å  [Help]
α: 90 °  [Help]
β: 98.94(3) °  [Help]
γ: 90 °  [Help]

Refinement Properties

# of observed reflections: 1098   [Help]
Residual factor for the observed reflns.: 0.022   [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Refinement Summary   


1013505039_2_MOD (modulated structure (VSb))

Chemical Properties

Structural Formula: (PbS)1.12VS2   [Help]

Crystallographic Properties

a: 5.7279(3) Å  [Help]
b: 3.256(7) Å  [Help]
c: 23.939(2) Å  [Help]
α: 90 °  [Help]
β: 98.94(3) °  [Help]
γ: 90 °  [Help]

Refinement Properties

# of observed reflections: 499   [Help]
Residual factor for the observed reflns.: 0.029   [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Refinement Summary