View EntryDate of entry : 08/11/2010

The incommensurate misfit layer structure of (PbS)1.14NbS2, 'PbNbS3' and (LaS)1.14NbS2, 'LaNbS3': an x-ray diffraction study
Wiegers, G. A.; Meetsma, A.; Haange, R. J.; van Smaalen, S.; de Boer, J. L.; Meerschaut, A.; Rabu, P.; Rouxel, J. Acta Cryst. B46 324 - 332 (1990)

[ B-IncStrDB ID: 1912E0VZ4B ]
 
Submitted by : System [B-IncStrDB]CIF File

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W-Matrix :: 1 : LaS

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

W-Matrix :: 2 : NbS2

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

1014222616_0_REFRNCE (reference structure (Global data))

Chemical Properties

Structural Formula: (LaS)1.14NbS2   [Help]




1014222616_1_REFRNCE (reference structure (LaS))

Chemical Properties

Structural Formula: (LaS)1.14NbS2   [Help]

Crystallographic Properties

a: 5.828 Å  [Help]
b: 5.797 Å  [Help]
c: 11.52 Å  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): Cm2a   [Help]




1014222616_2_REFRNCE (reference structure (NbS2))

Chemical Properties

Structural Formula: (LaS)1.14NbS2   [Help]

Crystallographic Properties

a: 3.31 Å  [Help]
b: 5.797 Å  [Help]
c: 23.04 Å  [Help]
Crystal System: orthorhombic   [Help]
Space Group Name (H-M): Fm2m   [Help]




1014222616_1_MOD (modulated structure (LaS))

Chemical Properties

Structural Formula: (LaS)1.14NbS2   [Help]

Crystallographic Properties

a: 5.828(1) Å  [Help]
b: 5.799(1) Å  [Help]
c: 11.512(2) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Refinement Properties

# of observed reflections: 395   [Help]
Residual factor for the observed reflns.: 0.048   [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   


1014222616_2_MOD (modulated structure (NbS2))

Chemical Properties

Structural Formula: (LaS)1.14NbS2   [Help]

Crystallographic Properties

a: 3.31(1) Å  [Help]
b: 5.793(2) Å  [Help]
c: 23.043(9) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Number of Formula Units: 4   [Help]

Refinement Properties

# of observed reflections: 161   [Help]
Residual factor for the observed reflns.: 0.087   [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Refinement Summary   


1014222616_0_MOD (modulated structure (Global data))

Chemical Properties

Structural Formula: (LaS)1.14NbS2   [Help]



  •  Refinement Summary