Database of Zeolite Structures
 
Framework Type CAS
Powder Diffraction Pattern for Cs-Aluminosilicate
Input Parameters
  Wavelength:  or
  2θ range:
  Step size:
  Polarization factor:
  Background:
  Reference peak is
    peak closest to °2θ
    reflection (hkl)
       scaled to
  Intensity axis:
     
Peak shape
  Pseudo-Voigt: (1-n)Gaussian + n Lorentzian
  FWHM = sqrt (U + V tan θ + W tan2θ)
  Mixing parameter (n): %
  Peak range: FWHM
  Peak width:
    set UVW at: U =   V =   W =
    FWHM =
    FWHM =
  FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: A m a 2   (# 40)   
  Cell parameters: a = 16.776 Å b = 13.828Å c = 5.021 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |Cs4 | [Al4Si20O48]-CAS
  Refinement: X-ray single crystal refinement, Rw=0.0549
  Reference: Araki, T.
Z. Kristallogr., 152, 207-213 (1980)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  CS
Cs
0.25 0.20406 0 0.814 4.665
  SI1
Si
0.05281 0.74134 0.04651 1 1.469
  SI2
Si
0.15709 0.42622 0.41971 1 1.404
  SI3
Si
0.08952 0.02677 0.40524 1 1.444
  O1
O
0 0 0.31644 1 2.851
  O2
O
0.25 0.41029 0.35466 1 4.888
  O3
O
0.12235 0.32339 0.51936 1 3.97
  O4
O
0.09931 0.14024 0.48097 1 3.014
  O5
O
0.02323 0.73969 0.3555 1 2.718
  O6
O
0.11123 0.45939 0.15344 1 4.334
  O7
O
0.14838 0.00661 0.15333 1 2.614


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