Database of Zeolite Structures
 
Framework Type VSV
Powder Diffraction Pattern for VPI-7
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: F d d 2   (# 141)   
  Cell parameters: a = 39.88 Å b = 10.326Å c = 10.219 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray Rietveld refinement, Rexp=0.248, Rwp=0.162, RI=0.100
  Reference: Röhrig, C., Gies, H. and Marler, B.
Zeolites, 14, 498-503 (1994)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.1269 0.201 0.059 0.89 1.58
  NA2
Na
0.2549 0.069 0.762 0.89 1.58
  SI1
Si
0 0 0 1 1.86
  SI2
Si
0.0718 0.4537 0.565 1 1.86
  SI3
Si
0.0868 0.1622 0.571 1 1.86
  SI4
Si
0.0904 0.4481 0.855 1 1.86
  ZN1
Zn
0.05488 0.164 0.856 1 1.86
  O1
O
0.0087 0.1255 0.91 1 0.87
  O2
O
0.0319 0.464 0.589 1 0.87
  O3
O
0.085 0.054 0.955 1 0.87
  O4
O
0.0809 0.3082 0.519 1 0.87
  O5
O
0.0572 0.12 0.67 1 0.87
  O6
O
0.061 0.3481 0.887 1 0.87
  O7
O
0.0902 0.488 0.702 1 0.87
  O8
O
0.1228 0.142 0.641 1 0.87
  O9
O
0.0836 0.081 0.435 1 0.87
  H2O1
O2-(H2O)
0.0889 0.299 0.213 1.23 5.53
  H2O2
O2-(H2O)
0.25 0.75 0.124 1.3 5.53
  H2O3
O2-(H2O)
0.2237 0.627 0.436 1.23 5.53