Database of Zeolite Structures
 
Framework Type EZT
Powder Diffraction Pattern for EMM-3
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 2/m 1 1   (# 12)   
  Cell parameters: a = 10.3132 Å b = 12.6975Å c = 21.866 Å
    α = 89.656° β = 90° γ = 90 °
  Chemical Formula [Al24P24O96]-EZT
  Refinement:
  Comment: unique axis a
  Reference: Afeworki, M., Dorset, D.L., Kennedy, G.J. and Strohmaier, K.G.
Chem. Mater., 18, 1697-1704 (2006)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Al1
Al
0.2247 0.3744 0.1119 1 0.94
  Al2
Al
0 0.5563 0.65436 1 0.94
  Al3
Al
0 0.8722 0.79486 1 0.94
  Al4
Al
0 0.8762 0.43411 1 0.94
  Al5
Al
0.219 0.5 0.5 1 0.94
  P6
P
0.7784 0.1322 0.11182 1 0.94
  P7
P
0 0.6216 0.79177 1 0.94
  P8
P
0 0.6292 0.4322 1 0.94
  P9
P
0 0.9457 0.66029 1 0.94
  P10
P
0.7767 0 0.5 1 0.94
  O11
O
0 0.5584 0.73316 1 0.87
  O12
O
0 0.7391 0.7734 1 0.87
  O13
O
0 0.5766 0.3683 1 0.87
  O14
O
0 0.7454 0.4179 1 0.87
  O15
O
0.195 0.755 0.91026 1 0.87
  O16
O
0 0.952 0.72943 1 0.87
  O17
O
0 0.943 0.3667 1 0.87
  O18
O
0.1984 0.4528 0.05108 1 0.87
  O19
O
0.1196 0.4071 0.17172 1 0.87
  O20
O
0.3813 0.3856 0.13894 1 0.87
  O21
O
0.8785 0.4039 0.53492 1 0.87
  O22
O
0.8097 0.0611 0.057 1 0.87
  O23
O
0.8573 0.1001 0.16663 1 0.87
  O24
O
0.6346 0.1171 0.1242 1 0.87
  O25
O
0.1348 0.0904 0.523 1 0.87


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