View EntryDate of entry : 08/11/2010

The structure refinement of compositely modulated Nb2Zrx-2O2x+1 (x=12)
Futterer, K.; Schmid, S.; Thompson, J.G.; Withwrs, R.L. Acta Cryst. B51 (1995)

[ B-IncStrDB ID: 2472EedTmg ]
 
Submitted by : System [B-IncStrDB]CIF File

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W-Matrix :: M : Metal subsytem

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

W-Matrix :: O : Oxygen subsystem 2

2 -1 0 1
0 1 0 0
0 0 1 0
1 0 0 0

1023721905_O_REFRNCE (reference structure (Oxygen subsystem 2))

Chemical Properties

Structural Formula: Nb2Zr10O25   [Help]




1023721905_0_REFRNCE (reference structure (Global data))

Chemical Properties

Structural Formula: Nb2Zr10O25   [Help]




1023721905_M_REFRNCE (reference structure (Metal subsytem))

Chemical Properties

Structural Formula: Nb2Zr10O25   [Help]




1023721905_M_MOD (modulated structure (Metal subsytem))

Chemical Properties

Common Name: icageax   [Help]
Structural Formula Sum: JotCPmWaf   [Help]
Structural Formula: Nb2Zr10O25   [Help]
Weight: nvDanHGwdcLRai Daltons  [Help]

Crystallographic Properties

a: 5.108(1) Å  [Help]
b: 4.997(1) Å  [Help]
c: 5.278(1) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]

  •  Additional Crystal Information   

Experimental Data

Radiation Type: GVagDAXFoS   [Help]
Radiation source: wLNpVPTGdLDSDmuWmeJ   [Help]

Diffraction Data

Radiation source: wLNpVPTGdLDSDmuWmeJ   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)   

1023721905_O_MOD (modulated structure (Oxygen subsystem 2))

Chemical Properties

Structural Formula: Nb2Zr10O25   [Help]

Crystallographic Properties

a: 2.452 Å  [Help]
b: 4.997(1) Å  [Help]
c: 5.278(1) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]

  •  Additional Crystal Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)   

1023721905_0_MOD (modulated structure (Global data))

Chemical Properties

Structural Formula: Nb2Zr10O25   [Help]

Crystallographic Properties

Symmetry Name: Amma(αlpha10)0s0   [Help]

Refinement Properties

# of observed reflections: 797   [Help]
Residual factor for the observed reflns.: 0.0633   [Help]

  •  Additional Refinement Information   



  •  Refinement Summary