Database of Zeolite Structures
 
Framework Type UOZ
Powder Diffraction Pattern for IM-10
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 -4 n 2   (# 118)   
  Cell parameters: a = 9.1596 Å b = 9.1596Å c = 28.5614 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(HM+2)2 F4 | [Ge40O80]-UOZ
HM+2 = C12H30N2+2 = hexamethonium ion
= trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C
;Images:  stick or 
  Refinement: X-ray Rietveld refinement, Rwp = 0.044, Rexp = 0.025
  Reference: Mathieu, Y., Paillaud, J.-L., Caullet, P. and Bats, N.
Microporous Mesoporous Mat., 75, 13-22 (2004)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Ge1
Ge
0.057554 0.265994 0.570198 1 0.88
  Ge2
Ge
0.238499 0.563719 0.681376 1 0.88
  Ge3
Ge
0.237983 0.560513 0.570161 1 0.88
  Ge4
Ge
0.5 0.5 0.74953 1 0.88
  Ge5
Ge
0.063726 0.261135 0.681355 1 0.88
  Ge6
Ge
0 0 0.5 1 0.88
  Ge7
Ge
0.5 0.5 0.5 1 0.88
  O1
O
0.197332 0.385597 0.55494 1 0.99
  O2
O
0.103463 0.118106 0.535923 1 0.99
  O3
O
0.287778 0.634179 0.624067 0.49 0.99
  O4
O
0.319534 0.524467 0.626056 0.51 0.99
  O5
O
0.093401 0.644845 0.540062 0.525 0.99
  O6
O
0.133705 0.726322 0.568163 0.475 0.99
  O7
O
0.15964 0.40423 0.706751 0.59 0.99
  O8
O
0.238351 0.366838 0.682042 0.41 0.99
  O9
O
0.39737 0.60704 0.715278 1 0.99
  O10
O
0.389102 0.380626 0.783688 1 0.99
  O11
O
0.082566 0.19716 0.626293 1 0.99
  O12
O
0.387271 0.608423 0.535217 1 0.99
  O13
O
-0.116377 0.304173 0.693352 1 0.99
  F1
F
0 0.5 0.621325 1 3.4
  N1
N
0.5 0 0.895049 0.5 2.5
  C1
C
0.458354 0.086236 0.854073 0.25 2.5
  C2
C
0.466741 -0.005755 0.810418 0.25 2.5
  C3
C
0.464016 0.075983 0.765342 0.25 2.5
  C4
C
0.521312 0.001888 0.72205 0.25 2.5
  C5
C
0.464376 0.074942 0.677103 0.25 2.5
  C6
C
0.573944 0.004541 0.640131 0.25 2.5
  N2
N
0.5 0 0.594386 0.5 2.5
  C7
C
0.478084 0.157763 0.5777 0.25 2.5
  C8
C
0.343714 -0.071832 0.589528 0.25 2.5
  C9
C
0.581305 -0.081456 0.559299 0.25 2.5
  C10
C
0.510181 0.087124 0.938347 0.25 2.5
  C11
C
0.671933 -0.055277 0.89107 0.25 2.5
  C12
C
0.423748 -0.148161 0.90023 0.25 2.5
  H1
H
0.362407 0.111698 0.86008 0.25 4.34
  H2
H
0.524924 0.166835 0.855114 0.25 4.34
  H3
H
0.560954 -0.056085 0.806906 0.25 4.34
  H4
H
0.394335 -0.072303 0.805592 0.25 4.34
  H5
H
0.377379 0.107577 0.758475 0.25 4.34
  H6
H
0.532806 0.145673 0.768546 0.25 4.34
  H7
H
0.618868 0.018997 0.723731 0.25 4.34
  H8
H
0.498896 -0.09615 0.723971 0.25 4.34
  H9
H
0.370005 0.040108 0.676249 0.25 4.34
  H10
H
0.470215 0.173041 0.684282 0.25 4.34
  H11
H
0.660313 0.060165 0.636805 0.25 4.34
  H12
H
0.597178 -0.095188 0.647466 0.25 4.34
  H13
H
0.422355 0.146244 0.552667 0.25 4.34
  H14
H
0.435379 0.199584 0.60988 0.25 4.34
  H15
H
0.571872 0.186646 0.572822 0.25 4.34
  H16
H
0.283351 -0.009965 0.610798 0.25 4.34
  H17
H
0.329599 -0.077733 0.559852 0.25 4.34
  H18
H
0.363064 -0.15554 0.608798 0.25 4.34
  H19
H
0.566349 -0.024638 0.532147 0.25 4.34
  H20
H
0.676897 -0.081878 0.573971 0.25 4.34
  H21
H
0.533692 -0.168122 0.559324 0.25 4.34
  H22
H
0.469086 0.17771 0.929384 0.25 4.34
  H23
H
0.462636 0.036484 0.963155 0.25 4.34
  H24
H
0.605964 0.095149 0.942964 0.25 4.34
  H25
H
0.716576 0.01514 0.875982 0.25 4.34
  H26
H
0.70732 -0.08074 0.915723 0.25 4.34
  H27
H
0.660189 -0.126006 0.869035 0.25 4.34
  H28
H
0.401635 -0.1588 0.929336 0.25 4.34
  H29
H
0.349666 -0.127763 0.878288 0.25 4.34
  H30
H
0.485538 -0.215233 0.884104 0.25 4.34


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