Database of Zeolite Structures
 
Framework Type VNI
Powder Diffraction Pattern for VPI-9
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 41 21 2   (# 92)   
  Cell parameters: a = 9.8837 Å b = 9.8837Å c = 73.6505 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |Rb22K2 (H2O)24|2 [Zn12Si48O120]2-VNI
  Refinement: X-ray Rietveld refinement, Rexp=0.099, Rwp=0.147, RF=0.069
  Reference: McCusker, L.B., Grosse-Kunstleve, R.W., Baerlocher, Ch., Yoshikawa, M. and Davis, M.E.
Microporous Materials, 6, 295-309 (1996)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
-0.0556 0.14097 0.04647 1 0.32
  Si2
Si
0.12355 0.36647 0.03339 1 0.32
  Si3
Si
0.34788 0.54161 0.04577 1 0.32
  Si4
Si
0.64551 0.45059 0.04531 1 0.32
  Si5
Si
0.70956 0.22908 0.01951 1 0.32
  Si6
Si
0.91831 0.59382 0.03688 1 0.32
  Zn7
Zn
0.76905 0.2696 0.07855 1 0.79
  Si8
Si
0.85239 0.37616 0.11695 1 0.32
  Si9
Si
0.63992 0.15641 0.11374 1 0.32
  Si10
Si
0.35908 0.14462 0.13017 1 0.32
  Si11
Si
0.1364 0.35246 0.13429 1 0.32
  Zn12
Zn
0.27595 0.23519 0.16979 1 0.79
  Si13
Si
0.43977 0.36294 0.20263 1 0.32
  Si14
Si
0.21756 0.29059 0.22953 1 0.32
  Zn15
Zn
-0.00008 0.50334 0.24691 1 0.79
  O1
O
0.56914 0.90441 0.07753 1.25 2.92
  O2
O
-0.08423 0.1714 0.06759 1 1.97
  O3
O
0.41652 0.41652 0 0.25 2.92
  O4
O
-0.17747 0.18145 0.0336 1 1.97
  O5
O
0.27867 0.39943 0.04014 1 1.97
  O6
O
0.02165 0.47477 0.04195 1 1.97
  O7
O
0.1112 0.37695 0.01106 1 1.97
  O8
O
0.62218 0.62218 0 0.75 2.92
  O9
O
0.65363 0.37488 0.02615 1 1.97
  O10
O
0.77309 0.5529 0.04576 1 1.97
  O11
O
0.76847 0.24075 -0.00018 1 1.97
  O12
O
0.59335 0.11791 0.01974 1 1.97
  O13
O
0.91157 0.61905 0.01426 1 1.97
  O14
O
0.96658 0.72981 0.04654 1 1.97
  O15
O
0.64151 0.34871 0.06225 1 1.97
  O16
O
0.85799 0.39098 0.09506 1 1.97
  O17
O
0.66199 0.14092 0.09257 1 1.97
  O18
O
0.73381 0.27261 0.12267 1 1.97
  O19
O
0.68028 0.02001 0.12391 1 1.97
  O20
O
0.48533 0.1944 0.11787 1 1.97
  O21
O
0.23709 0.24422 0.12539 1 1.97
  O22
O
0.38915 0.14632 0.15157 1 1.97
  O23
O
0.31402 -0.00248 0.12264 1 1.97
  O24
O
0.13419 0.33967 0.15616 1 1.97
  O25
O
-0.0085 0.32063 0.12528 1 1.97
  O26
O
0.3676 0.38136 0.1832 1 1.97
  O27
O
0.20338 0.0931 0.18492 1 1.97
  O28
O
0.33256 0.36743 0.21848 1 1.97
  O29
O
0.18986 0.14876 0.21931 1 1.97
  O30
O
0.08186 0.37815 0.2304 1 1.97
  Rb1
Rb
0.00301 0.0083 0.1198 0.875 2.92
  Rb2
Rb
0.16907 0.36207 0.08261 0.875 2.92
  Rb3
Rb
0.41652 0.41652 0 0.75 2.92
  O3
O
0.41652 0.41652 0 0.25 2.92
  Rb4
Rb
0.07877 0.07877 0 1 2.92
  Rb5
Rb
0.64934 0.8432 0.03976 0.875 2.92
  Rb6
Rb
0.40656 0.13336 0.0495 0.75 2.92
  K6
K
0.32838 0.13511 0.03545 0.25 2.92
  Rb7
Rb
0.83939 0.69102 0.08693 0.75 2.92
  K7
K
0.86257 0.61323 0.07771 0.25 2.92
  Rb8
Rb
0.62218 0.62218 0 0.25 2.92
  O8
O
0.62218 0.62218 0 0.75 2.92
  Rb9
Rb
0.53776 0.56878 0.08892 0.375 2.92
  O1
O
0.56914 0.90441 0.07753 1.25 2.92


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