Database of Zeolite Structures
 
Framework Type ATT
Powder Diffraction Pattern for Tetramethylammonium hydroxide AlPO-12-TAMU
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 21 21 2   (# 18)   
  Cell parameters: a = 10.3325 Å b = 14.6405Å c = 9.5112 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(TMA+)2 (OH)2|2 [Al6P6O24]2-ATT
TMA+ = C4H12N+ = tetramethylammonium ion
= tetramethylazanium
SMILES: C[N+](C)(C)C
;Images:  stick or 
  Refinement: X-ray Rietveld refinement, Rwp=0.19, RF=0.17
  Reference: Rudolf, P.R., Saldarriaga-Molina, C. and Clearfield, A.
J. Phys. Chem., 90, 6122-6125 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  AL1
Al
0.354 0.608 0.387 1 3
  AL2
Al
0.366 0.896 0.383 1 3
  AL3
Al
0.349 0.249 0.139 1 3
  P1
P
0.339 0.77 0.157 1 4.8
  P2
P
0.354 0.112 0.368 1 4.8
  P3
P
0.343 0.415 0.369 1 4.8
  O1
O
0.338 0.696 0.272 1 4.3
  O2
O
0.311 0.864 0.218 1 4.3
  O3
O
0.482 0.758 0.086 1 4.3
  O4
O
0.249 0.764 0.018 1 4.3
  O5
O
0.318 0.137 0.21 1 4.3
  O6
O
0.37 0.012 0.381 1 4.3
  O7
O
0.485 0.168 0.412 1 4.3
  O8
O
0.244 0.143 0.466 1 4.3
  O9
O
0.3 0.506 0.317 1 4.3
  O10
O
0.337 0.349 0.242 1 4.3
  O11
O
0.482 0.412 0.425 1 4.3
  O12
O
0.254 0.381 0.488 1 4.3
  C1
C
-0.024 0.089 0.196 1 13.1
  C2
C
-0.131 -0.017 0.004 1 13.1
  C3
C
-0.018 0.587 0.249 1 13.1
  C4
C
-0.129 0.482 0.065 1 13.1
  N1
N
0 0 0.1 1 13.1
  N2
N
0 0.5 0.158 1 13.1
  O13
O
0 0 0.284 1 13.1
  O14
O
0 0.5 -0.024 1 13.1


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