Database of Zeolite Structures
 
Framework Type EAB
Powder Diffraction Pattern for (Na, Tetramethylammonium)-E
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: P 63/m m c   (# 194)   
  Cell parameters: a = 13.28 Å b = 13.28Å c = 15.21 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |(TMA+)2Na7 (H2O)26 | [Al9Si27O72]-EAB
TMA+ = C4H12N+ = tetramethylammonium ion
= tetramethylazanium
SMILES: C[N+](C)(C)C   Images:  stick or 3D
  Refinement: X-ray powder refinement, R=0.19
  Reference: Meier, W.M. and Groner, M.
J. Solid State Chem., 37, 204-218 (1981)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
0.233 0 0 0.739 0.9
  SI2
Si
0.425 0.093 0.146 0.739 2.4
  AL1
Al
0.233 0 0 0.261 0.9
  AL2
Al
0.425 0.093 0.146 0.261 2.4
  O1
O
0.309 -0.003 0.088 1 0.8
  O2
O
0.212 0.106 0.006 1 0.5
  O3
O
0.478 0.239 0.117 1 3.2
  O4
O
0.399 0.081 0.25 1 2.6
  O5
O
0.536 0.072 0.106 1 2
  H2O1
O2-(H2O)
0.6667 0.3333 -0.003 0.87 5
  H2O2
O2-(H2O)
0.461 -0.078 0.25 0.5 2
  H2O3
O2-(H2O)
0.454 0.227 -0.122 0.91 5
  H2O4
O2-(H2O)
0 0 -0.184 1.19 0.6
  H2O5
O2-(H2O)
0.068 0.136 0.75 0.7 0.9
  H2O6
O2-(H2O)
0.35 0.175 0.75 1.21 5
  H2O7
O2-(H2O)
0.708 0.354 -0.073 0.49 2.1


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