Database of Zeolite Structures
 
Framework Type IHW
Powder Diffraction Pattern for ITQ-32
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space group: C m c a   (# )   
  Cell parameters: a = 13.6988 Å b = 24.0665Å c = 18.1968 Å
    α = 90° β = 90° γ = 90 °
  Refinement:
  Reference: Cantin, A., Corma, A., Leiva, S., Rey, F., Rius, J. and Valencia, S.
J. Am. Chem. Soc., 127, 11560-11561 (2005)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.618 0.4716 0.4246 1 1.7
  Si2
Si
0.6828 0.565 0.3182 1 1.7
  Si3
Si
0.7896 0.6549 0.4144 1 1.7
  Si4
Si
0.6939 0.6486 0.5655 1 1.7
  Si5
Si
0.7148 0.7619 0.3319 1 1.7
  Si6
Si
0.5 0.7135 0.5365 1 1.7
  Si7
Si
0.5 0.7412 0.3736 1 1.7
  Si8
Si
0.5 0.6377 0.2844 1 1.7
  Si9
Si
0 0.6805 0.3713 1 1.7
  O1
O
0.6433 0.5 0.5 1 1.7
  O2
O
0.5 0.459 0.4262 1 1.7
  O3
O
0.6423 0.5109 0.3568 1 1.7
  O4
O
0.6805 0.4145 0.4134 1 1.7
  O5
O
0.75 0.5495 0.25 1 1.7
  O6
O
0.7423 0.6056 0.3702 1 1.7
  O7
O
0.5919 0.5983 0.2863 1 1.7
  O8
O
0.7669 0.6526 0.4991 1 1.7
  O9
O
0.746 0.7105 0.3832 1 1.7
  O10
O
0.907 0.6497 0.4025 1 1.7
  O11
O
0.7371 0.6812 0.6358 1 1.7
  O12
O
0.5936 0.676 0.5384 1 1.7
  O13
O
0.75 0.7581 0.25 1 1.7
  O14
O
0.5971 0.7675 0.3396 1 1.7
  O15
O
0.5 0.7494 0.4614 1 1.7
  O16
O
0.5 0.756 0.605 1 1.7
  O17
O
0.5 0.6762 0.3588 1 1.7
  O18
O
0.5 0.6797 0.2166 1 1.7