View EntryDate of entry : 08/11/2010

Vacancies and localization in the incommensurate intergrowth compound (La0.95Se)1.2VSe2
Ren, Y.; Baas, J.; Meetsma, A.; de Boer, J.L.; Wiegers, G.A. Acta Cryst. B52 398 - 405 (1996)

[ B-IncStrDB ID: 1492EA3ibx ]
 
Submitted by : System [B-IncStrDB]CIF File

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W-Matrix :: 1 : VSe2

1 0 0 0
0 1 0 0
0 0 1 0
0 0 0 1

W-Matrix :: 2 : LaSe

0 0 0 1
0 1 0 0
0 0 1 0
1 0 0 0

1012987355_0_REFRNCE (reference structure (Global data))

Chemical Properties

Structural Formula: (La0.95Se)1.21VSe2   [Help]




1012987355_1_REFRNCE (reference structure (VSe2))

Chemical Properties

Structural Formula: (La0.95Se)1.21VSe2   [Help]




1012987355_2_REFRNCE (reference structure (LaSe))

Chemical Properties

Structural Formula: (La0.95Se)1.21VSe2   [Help]




1012987355_1_MOD (modulated structure (VSe2))

Chemical Properties

Structural Formula: (La0.95Se)1.21VSe2   [Help]

Crystallographic Properties

a: 3.576(3) Å  [Help]
b: 6.1(2) Å  [Help]
c: 11.69(2) Å  [Help]
α: 95.12(2) °  [Help]
β: 85.96(2) °  [Help]
γ: 89.91(2) °  [Help]
Symmetry Name: C-1   [Help]

  •  Additional Crystal Information   

Refinement Properties

# of observed reflections: 684   [Help]
Residual factor for the observed reflns.: 0.047   [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)   

1012987355_2_MOD (modulated structure (LaSe))

Chemical Properties

Structural Formula: (La0.95Se)1.21VSe2   [Help]

Crystallographic Properties

a: 5.911(2) Å  [Help]
b: 6.101(2) Å  [Help]
c: 11.684(3) Å  [Help]
α: 95.07(2) °  [Help]
β: 85.76(2) °  [Help]
γ: 90.02(2) °  [Help]
Symmetry Name: C-1   [Help]

  •  Additional Crystal Information   

Refinement Properties

# of observed reflections: 1316   [Help]
Residual factor for the observed reflns.: 0.048   [Help]

  •  Additional Refinement Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)   

1012987355_0_MOD (modulated structure (Global data))

Chemical Properties

Structural Formula: (La0.95Se)1.21VSe2   [Help]



  •  Refinement Summary