Database of Zeolite Structures
 
Framework Type -ION
Powder Diffraction Pattern for IDM-1
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 n m a   (# 62)   
  Cell parameters: a = 20.0345 Å b = 35.0704Å c = 13.366 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(H2O)32| [Si156.6O322.5H18.6]--ION
  Refinement: X-ray synchrotron Rietveld refinement, Rwp=0.0646, Rp=0.0558, Rexp=0.0215
  Reference: Villaescusa, L.A., Li, J., Gao, Z., Sun, J. and Camblor M.A.
Angew. Chem. Int. Ed., 59, 11283–11286 (2020)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.6845 0.4655 0.8374 1 1.3
  Si2
Si
0.2806 0.4636 0.0276 1 1.3
  Si3
Si
0.306 0.4854 0.8086 1 1.3
  Si4
Si
0.6193 0.5994 0.469 1 1.3
  Si5
Si
0.6203 0.4624 0.4706 1 1.3
  Si6
Si
0.5756 0.4031 0.3286 1 1.3
  Si7
Si
0.7269 0.3998 0.9689 1 1.3
  Si8
Si
0.432 0.6826 0.6931 1 1.3
  Si9
Si
0.198 0.6864 0.6786 1 1.3
  Si10
Si
0.4213 0.4666 0.659 1 1.3
  Si11
Si
0.5773 0.7047 0.6959 1 1.3
  Si12
Si
0.6165 0.6845 0.482 1 1.3
  Si13
Si
0.5731 0.4844 0.6899 1 1.3
  Si14
Si
0.5738 0.5743 0.6876 1 1.3
  Si15
Si
0.7314 0.3119 0.9575 1 1.3
  Si16
Si
0.3126 0.7944 0.8234 1 1.3
  Si17
Si
0.1791 0.25 0.6758 0.592 1.3
  Si18
Si
0.3073 0.5738 0.8133 1 1.3
  Si19
Si
0.1862 0.6015 0.6732 1 1.3
  Si20
Si
0.402 0.75 0.5392 0.888 1.3
  Si21
Si
0.5244 0.75 0.3952 0.824 1.3
  Si22
Si
0.2429 0.75 0.5285 0.85 1.3
  O1
O
0.4045 0.5789 0.5653 1 1.6
  O2
O
0.5045 0.6932 0.7367 1 1.6
  O3
O
0.3819 0.687 0.7863 1 1.6
  O4
O
0.4176 0.4707 0.3244 1 1.6
  O5
O
0.6157 0.5977 0.7701 1 1.6
  O6
O
0.135 0.7101 0.7211 1 1.6
  O7
O
0.2542 0.6833 0.7647 1 1.6
  O8
O
0.5973 0.6797 0.5989 1 1.6
  O9
O
0.2227 0.7114 0.5853 1 1.6
  O10
O
0.4957 0.4731 0.6999 1 1.6
  O11
O
0.3161 0.709 0.1226 1 1.6
  O12
O
0.3113 0.5765 0.1162 1 1.6
  O13
O
0.3733 0.4717 0.7541 1 1.6
  O14
O
0.6117 0.4694 0.788 1 1.6
  O15
O
0.6916 0.5751 0.9243 1 1.6
  O16
O
0.4115 0.4092 0.4223 1 1.6
  O17
O
0.7405 0.4731 0.7534 1 1.6
  O18
O
0.2549 0.413 0.2455 1 1.6
  O19
O
0.5954 0.5024 0.4258 1 1.6
  O20
O
0.2999 0.4612 0.9107 1 1.6
  O21
O
0.1965 0.5867 0.0233 1 1.6
  O22
O
0.5845 0.5768 0.3783 1 1.6
  O23
O
0.6963 0.4063 0.0786 1 1.6
  O24
O
0.6954 0.6442 0.8663 1 1.6
  O25
O
0.2947 0.5296 0.832 1 1.6
  O26
O
0.5715 0.7143 0.4213 1 1.6
  O27
O
0.5982 0.4661 0.5858 1 1.6
  O28
O
0.608 0.6428 0.4356 1 1.6
  O29
O
0.2846 0.6439 0.0617 1 1.6
  O30
O
0.2004 0.4652 0.0372 1 1.6
  O31
O
0.5051 0.4213 0.2956 1 1.6
  O32
O
0.3067 0.5025 0.0779 1 1.6
  O33
O
0.304 0.7038 0.9428 1 1.6
  O34
O
0.4158 0.7856 0.6112 1 1.6
  O35
O
0.6276 0.4081 0.2383 1 1.6
  O36
O
0.8095 0.3004 0.9568 1 1.6
  O37
O
0.4195 0.8586 0.6469 1 1.6
  O38
O
0.5727 0.75 0.6818 1 1.6
  O39
O
0.3231 0.75 0.5186 0.888 1.6
  O40
O
0.3223 0.75 0.7995 1 1.6
  O41
O
0.4506 0.75 0.4434 0.888 1.6
  O42
O
0.5123 0.75 0.2761 0.824 1.6
  O43
O
0.2172 0.75 0.4143 0.85 1.6
  O44
O
0.2491 0.75 0.2295 0.592 1.6
  O45
O
0.3861 0.75 0.2459 0.592 1.6
  OW1
O
0.6105 0.3483 -0.357 1 20
  OW2
O
0.194 0.6823 -0.6829 1 20
  OW3
O
0.5363 0.7099 -0.9278 1 20
  OW4
O
0.0533 0.6231 -1.6603 1 20


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