View EntryDate of entry : 19/02/2015


New Layered Tin(II) Thiophosphates ASnPS4 (A = K, Rb, Cs): Synthesis,
Structure, Glass Formation, and the Modulated CsSnPS4

Santanu Banerjee, ; Malliakas, Christos D.; Kanatzidis, Mercouri G. Inorganic Chemistry 51 11562 - 11573 (2012)

[ B-IncStrDB ID: 10282EtoAjM ]
 
Submitted by : Samuel [UPV/EHU]CIF File

CsSnPS4

Chemical Properties

Structural Formula Sum: Cs1 P1 S4 Sn1   [Help]
Weight: 410.8 Daltons  [Help]

Crystallographic Properties

a: 6.2031(5) Å  [Help]
b: 6.8416(5) Å  [Help]
c: 18.0468(14) Å  [Help]
α: 90 °  [Help]
β: 90 °  [Help]
γ: 90 °  [Help]
Volume: 765.89(10) Å3  [Help]
Crystal System: monoclinic   [Help]
Space Group Name: P21/m(α0γ)0s   [Help]
Number of Formula Units: 4   [Help]

  •  Additional Crystal Information   

Experimental Data

Absorption_coeff_μ: 9.207 &mm;  [Help]
Description of the crystal: Rod   [Help]
Absorption-correction type: integration   [Help]
Minimum transmission factor: 0.3583   [Help]
Maximum transmission factor: 0.6363   [Help]
Intensity Measure Temperature: 100(3) K  [Help]
Radiation Wavelength: 0.71073 Å  [Help]
Total measured intensities #: 34902   [Help]

  •  Additional Experimental Information   

Refinement Properties

Total # of reflections: 9352   [Help]
# of observed reflections: 5097   [Help]
Residual factor for the observed reflns.: 0.0618   [Help]

  •  Additional Refinement Information   

Diffraction Data

Intensity Measure Temperature: 100(3) K  [Help]
Radiation Wavelength: 0.71073 Å  [Help]

  •  Additional Diffraction Data Information   


  •  Reference Structure Information   

  •  Modulation Parameters (Tables)   

  •  Modulation Parameters (Atom Sites Summary)