Database of Zeolite Structures
 
Framework Type MTT
Powder Diffraction Pattern for Ammonium Fluoride ZSM-23
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

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Crystal Data
  Space Group: P 1 21 1   (# 4)   
  Cell parameters: a = 11.129 Å b = 5.025Å c = 21.519 Å
    α = 90° β = 89.85° γ = 90 °
  Chemical Formula [AlxSi24-xO48]-MTT
  Refinement: X-ray Rietveld refinement, Rexp=0.033, Rwp=0.085, RF=0.089
  Comment: unique axis b
  Reference: Marler, B., Deroche, C., Gies, H., Fyfe, C.A., Grondey, H., Kokotailo, G.T., Feng, Y., Ernst, S., Weitkamp, J. and Cox, D.E.
J. Appl. Crystallogr., 26, 636-644 (1993)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
-0.009 -0.02 0.4578 1 1.1
  SI2
Si
0.726 -0.082 0.425 1 1.1
  SI3
Si
0.228 -0.112 0.384 1 1.1
  SI4
Si
0.312 0 0.251 1 1.1
  SI5
Si
0.476 0.503 0.249 1 1.1
  SI6
Si
0.346 0.39 0.434 1 1.1
  SI7
Si
0.6 0.417 0.378 1 1.1
  SI8
Si
-0.01 -0.1 0.0422 1 1.1
  SI9
Si
0.726 -0.012 0.077 1 1.1
  SI10
Si
0.232 -0.077 0.118 1 1.1
  SI11
Si
0.355 0.424 0.063 1 1.1
  SI12
Si
0.603 0.487 0.12 1 1.1
  O1
O
0.012 0.27 0.487 1 1.03
  O2
O
0.866 -0.02 0.422 1 1.03
  O3
O
0.093 -0.09 0.408 1 1.03
  O4
O
0.683 -0.04 0.495 1 1.03
  O5
O
0.655 0.122 0.381 1 1.03
  O6
O
0.231 -0.05 0.311 1 1.03
  O7
O
0.317 0.085 0.419 1 1.03
  O8
O
0.368 0.292 0.254 1 1.03
  O9
O
0.564 0.49 0.308 1 1.03
  O10
O
0.486 0.44 0.423 1 1.03
  O11
O
0.866 -0.07 0.079 1 1.03
  O12
O
0.1 -0.05 0.089 1 1.03
  O13
O
0.679 -0.03 0.008 1 1.03
  O14
O
0.226 -0.03 0.192 1 1.03
  O15
O
0.553 0.43 0.189 1 1.03
  O16
O
0.497 0.46 0.071 1 1.03
  O17
O
0.708 0.28 0.103 1 1.03
  O18
O
0.322 0.13 0.086 1 1.03
  O19
O
-0.001 0.11 -0.014 1 1.03
  O20
O
0.701 0.621 0.401 1 1.03
  O21
O
0.269 0.584 0.392 1 1.03
  O22
O
0.422 0.797 0.246 1 1.03
  O23
O
0.652 0.786 0.12 1 1.03
  O24
O
0.285 0.632 0.106 1 1.03
  F1
F
0.938 0.55 0.215 0.86 31.58
  N1
N
0.89 0.06 0.261 0.86 31.58


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