Database of Zeolite Structures
 
Framework Type IFO
Powder Diffraction Pattern for ITQ-51
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 1 21/n 1   (# 14)   
  Cell parameters: a = 23.345 Å b = 16.513Å c = 4.9814 Å
    α = 90° β = 90.62° γ = 90 °
  Chemical Formula [Si2.6Al14.7P14.7O64]-IFO
  Refinement: X-ray Rietveld refinement, Rwp=0.082, Rexp=0.019
  Reference: Martinez-Franco, R., Moiner, M., Yun, Y., Sun, J., Wan, W., Zou, X. and Corma, A.
Proc. Natl. Acad. Sci., 110, 3749-3754 (2013)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  P1
P
0.21581 0.78257 0.9013 1 1.12
  P2
P
0.56731 0.90136 0.0691 1 1.12
  P3
P
0.36451 0.85602 0.6071 1 1.12
  P4
P
0.24478 0.06211 0.2527 1 1.12
  Al1
Al
0.28457 0.7299 0.4021 1 1.62
  Al2
Al
0.43419 0.9086 0.0897 1 1.62
  Al3
Al
0.36278 0.1507 0.4144 1 1.62
  Al4
Al
0.24704 0.9496 0.7309 1 1.62
  O1
O
0.31221 0.9094 0.6394 1 1.04
  O2
O
0.50476 0.8817 0.0853 1 1.04
  O3
O
0.30218 0.091 0.3553 1 1.04
  O4
O
0.25646 0.7772 0.1373 1 1.04
  O5
O
0.39205 0.8439 0.8799 1 1.04
  O6
O
0.22172 0.0095 0.4745 1 1.04
  O7
O
0.349 0.7707 0.5154 1 1.04
  O8
O
0.2387 0.7324 0.6711 1 1.04
  O9
O
0.15737 0.7517 0.9964 1 1.04
  O10
O
0.2953 0.6304 0.3138 1 1.04
  O11
O
0.2032 0.8685 0.81 1 1.04
  O12
O
0.59524 0.8461 0.8638 1 1.04
  O13
O
0.40805 0.8925 0.4161 1 1.04
  O14
O
0.59363 0.8989 0.3456 1 1.04
  O15
O
0.2573 0.0107 1.0095 1 1.04
  O16
O
0.5753 0.9868 0.9681 1 1.04


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