Database of Zeolite Structures
 
Framework Type ZON
Powder Diffraction Pattern for Tetramethylammonium ZAPO-M1
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 b c a   (# 61)   
  Cell parameters: a = 14.226 Å b = 15.117Å c = 17.557 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(TMA+)4|2 [Zn4Al12P16O64]2-ZON
TMA+ = C4H12N+ = tetramethylammonium ion
= tetramethylazanium
SMILES: C[N+](C)(C)C   Images:  stick or 3D
  Refinement: X-ray single crystal refinement, Rw=0.069
  Reference: Marler, B., Patarin, J. and Sierra, L.
Microporous Materials, 5, 151-159 (1995)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  AL1
Al
0.0532 0.7242 0.341 0.639 1.56
  AL2
Al
0.5553 0.9022 0.4377 0.794 1.56
  AL3
Al
0.4234 0.6045 0.4306 0.814 1.56
  AL4
Al
0.2111 0.8403 0.5378 0.877 1.56
  ZN1
Zn
0.0532 0.7242 0.341 0.361 1.69
  ZN2
Zn
0.5553 0.9022 0.4377 0.206 1.69
  ZN3
Zn
0.4234 0.6045 0.4306 0.186 1.69
  ZN4
Zn
0.2111 0.8403 0.5378 0.123 1.69
  P1
P
0.4499 0.4048 0.4262 1 2.25
  P2
P
0.5849 0.1002 0.425 1 2.25
  P3
P
0.5607 0.7292 0.3412 1 2.25
  P4
P
0.2147 0.6608 0.4506 1 2.25
  O1
O
0.0432 0.0001 0.3975 1 3.46
  O2
O
-0.5552 -0.0084 0.6006 1 3.46
  O3
O
0.0523 -0.1605 0.357 1 3.46
  O4
O
-0.0558 0.3285 0.3629 1 3.46
  O5
O
-0.0494 -0.3296 0.3703 1 3.46
  O6
O
0.0279 0.1831 0.3709 1 3.46
  O7
O
0.197 0.1063 0.427 1 3.46
  O8
O
-0.3063 0.1053 0.4351 1 3.46
  O9
O
-0.4573 0.1168 0.5049 1 3.46
  O10
O
0.0359 0.1174 0.5247 1 3.46
  O11
O
0.3383 0.1058 0.5102 1 3.46
  O12
O
-0.0722 0.2158 0.2574 1 3.46
  O13
O
0.3486 0.1715 0.3817 1 3.46
  O14
O
0.2528 0.2463 0.4864 1 3.46
  O15
O
0.1399 -0.1002 0.477 1 3.46
  O16
O
-0.1496 0.1936 0.3819 1 3.46
  N1
N
0.3047 0.9264 0.2574 1 4.41
  C1
C
0.2179 0.9808 0.2397 1.333 12.44
  C2
C
0.3954 0.9835 0.2517 1.333 12.44
  C3
C
0.3024 0.8446 0.2023 1.333 12.44
  C4
C
0.3006 0.8984 0.3392 1.333 12.44


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