Database of Zeolite Structures
 
Framework Type *MRE
Powder Diffraction Pattern for ZSM-48, polymorph 6
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: I m m a   (# 74)   
  Cell parameters: a = 8.4 Å b = 14.24Å c = 20.14 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si48O96]-*MRE
  Refinement: DLS refinement
  Reference: Schlenker, J.L. Rohrbaugh, W.J., Chu, P., Valyocsik, E.W. and Kokotailo, G.T.
Zeolites, 5, 355-358 (1985)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  T1
Si
0.3187 -0.25 -0.0098 1 1
  T2
Si
0.1838 -0.25 0.1316 1 1
  T3
Si
0.3143 -0.0527 0.1774 1 1
  T4
Si
0.183 -0.0664 -0.0601 1 1
  O1
O
0.5 -0.25 0.0172 1 2
  O2
O
0 -0.25 0.1536 1 2
  O3
O
0.5 -0.03 0.17 1 2
  O4
O
0 -0.0965 -0.0518 1 2
  OI
O
0.1965 -0.25 0.0516 1 2
  OII
O
0.275 -0.1591 0.1595 1 2
  OIII
O
0.25 -0.0285 0.25 1 2
  OiV
O
0.2118 0.0143 0.1289 1 2
  OV
O
0.2367 0 0 1 2
  OVI
O
0.2936 -0.1588 -0.056 1 2


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