View EntryDate of entry : 03/12/2015


Disorder in the composite crystal structure of the manganese disilicide
MnSi1.73 from powder X-ray diffraction data

Akselrud, L.; Cardoso Gil, R.; Wagner-Reetz, M.; Grin, Yu. Acta Crystallographica, Section B 71 707 - 712 (2015)

[ B-IncStrDB ID: 11402EFCaNO ]
 
Submitted by : Luis Elcoro [UPV/EHU]CIF File

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I

W-Matrix :: :

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

W-Matrix :: :

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

Chemical Properties

Structural Formula Sum: Mn2 Si3.5   [Help]

Crystallographic Properties

a: 5.5235(3) Å  [Help]
b: 5.5235(3) Å  [Help]
c: 4.3634(3) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 133.13(2) Å3  [Help]
Crystal System: tetragonal   [Help]
Space Group Name: I 41/a m d(00p)00ss   [Help]
Number of Formula Units: 2   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 89.62 &mm;  [Help]
Intensity Measure Temperature: 295 K  [Help]
Radiation Type: Cu Kα1   [Help]
Radiation Wavelength: 1.54061 Å  [Help]
Radiation source: sealed X-ray tube   [Help]

  •  Additional Experimental Information   

Refinement Properties

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 295 K  [Help]
Radiation source: sealed X-ray tube   [Help]
Nature of the radiation: x-ray   [Help]
Radiation Wavelength: 1.54061 Å  [Help]
_diffrn_measurement_device_type: Huber Guinier G670   [Help]
Class of the radiation detector: imaging plate   [Help]
Scanning reciprocal space method: step   [Help]
Scanning reciprocal space method: step   [Help]
Minimum 2Θ diffraction angle: 15   [Help]
Maximum 2Θ diffraction angle: 100.3   [Help]
2Θ diffraction angle increment: 0.005   [Help]
PD unweighted fitness metric (Rp): 0.1123   [Help]
PD weighted fitness metric (Rwp): 0.087   [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Refinement Summary   

  •  Modulation Parameters (Atom Sites Summary)