Database of Zeolite Structures
 
Framework Type RWR
Powder Diffraction Pattern for RUB-24
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: I 41/a m d   (# 141)   
  Cell parameters: a = 7.6677 Å b = 7.6677Å c = 27.0625 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si32O64]-RWR
  Refinement: X-ray Rietveld refinement, Rwp=0.108, Rexp=0.061, RI=0.047
  Comment: second origin choice in IT
  Reference: Marler, B., Ströter, N. and Gies, H.
Microporous Mesoporous Mat., 83, 201-211 (2005)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.3052 0.0552 0.125 1 1.7
  Si2
Si
0 0.5452 0.0561 1 1.7
  O1
O
0.1784 0.0173 0.0811 1 2.9
  O2
O
0 0.0244 0.3979 1 2.9
  O3
O
0 0.75 0.0594 1 2.9
  O4
O
0 0.5 0 1 2.9


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