Database of Zeolite Structures
 
Framework Type RSN
Powder Diffraction Pattern for RUB-17
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 1 m 1   (# 8)   
  Cell parameters: a = 7.238 Å b = 40.56Å c = 7.308 Å
    α = 90° β = 91.8° γ = 90 °
  Chemical Formula |K4Na12 (H2O)18 | [Zn8Si28O72]-RSN
  Refinement: X-ray Rietveld refinement, Rexp=0.238, Rwp=0.164, RI=0.090
  Comment: unique axis b, cell choice 1
  Reference: Röhrig, C. and Gies, H.
Angew. Chem. Int. Ed., 34, 63-65 (1995)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
-0.141 0 0.224 1 1.97
  NA2
Na
-0.164 0 0.795 1 1.97
  NA3
Na
-0.002 0.2469 0.84 1 1.97
  NA4
Na
0.05 0.1309 0.574 1 1.97
  K
K
0.063 0.3865 0.442 1 1.97
  SI1
Si
0.317 0.0382 0.308 1 0.79
  SI2
Si
0.299 0.0379 0.72 1 0.79
  SI3
Si
0.572 0.0671 0.017 1 0.79
  SI4
Si
-0.195 0.1277 -0.024 1 0.79
  SI5
Si
0.755 0.1991 0.096 1 0.79
  SI6
Si
0.038 0.2185 0.397 1 0.79
  SI7
Si
0.467 0.2105 0.388 1 0.79
  ZN1
Zn
0 0.0605 0 1 0.79
  ZN2
Zn
0.7484 0.1832 0.6786 1 0.79
  O1
O
0.377 0 0.298 1 1.18
  O2
O
0.317 0.052 0.515 1 1.18
  O3
O
0.111 0.0427 0.224 1 1.18
  O4
O
0.467 0.0603 0.205 1 1.18
  O5
O
0.365 0 0.735 1 1.18
  O6
O
0.086 0.042 0.773 1 1.18
  O7
O
0.433 0.0609 0.844 1 1.18
  O8
O
0.7478 0.043 0.004 1 1.18
  O9
O
-0.002 0.1084 0.01 1 1.18
  O10
O
0.626 0.1058 0.022 1 1.18
  O11
O
-0.203 0.1599 0.106 1 1.18
  O12
O
0.784 0.1378 0.762 1 1.18
  O13
O
0.737 0.2124 0.888 1 1.18
  O14
O
-0.079 0.2182 0.204 1 1.18
  O15
O
0.561 0.2066 0.192 1 1.18
  O16
O
-0.029 0.1919 0.544 1 1.18
  O17
O
0.521 0.1815 0.53 1 1.18
  O18
O
0.247 0.2091 0.346 1 1.18
  O19
O
0.023 0.2549 0.485 1 1.18
  H2O1
O2-(H2O)
-0.1 0.0753 0.501 1.15 4.74
  H2O2
O2-(H2O)
0.257 0.2093 0.898 1.15 4.74
  H2O3
O2-(H2O)
0.299 0.1398 0.775 1.15 4.74
  H2O4
O2-(H2O)
0.21 0.1324 0.293 1.15 4.74
  H2O5
O2-(H2O)
0.746 0 0.487 1.15 4.74