Database of Zeolite Structures
 
Framework Type UOV
Powder Diffraction Pattern for IM-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: A m m 2   (# 38)   
  Cell parameters: a = 12.6788 Å b = 22.217Å c = 39.058 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si136.5Ge39.5O352]-UOV
  Refinement: X-ray Rietveld refinement, Rwp=0.074,Rp=0.053,Rexp=0.021
  Reference: Lorgouilloux, Y., Dodin, M., Mugnaioli, E., Marichal, C., Caullet, P., Bats, N., Kolb, U. and Paillaud, J.-L.
RSC Adv., 4, 19440-19449 (2014)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0 0.4292 0.8624 1 5.61
  Si2
Si
0 0.43 0.9444 1 5.61
  Si3
Si
0.1887 0.347 0.8396 1 5.61
  Si4
Si
0.191 0.352 0.9672 0.762 5.61
  Ge4
Ge
0.191 0.352 0.9672 0.238 5.61
  Si5
Si
0.3695 0.4305 0.86112 0.44 5.61
  Ge5
Ge
0.3695 0.4305 0.86112 0.56 5.61
  Si6
Si
0.1262 0.2706 0.9045 0.929 5.61
  Ge6
Ge
0.1262 0.2706 0.9045 0.071 5.61
  Si7
Si
0.1232 0.2616 0.7852 1 5.61
  Si8
Si
0.3764 0.429 0.94284 0.11 5.61
  Ge8
Ge
0.3764 0.429 0.94284 0.89 5.61
  Si9
Si
0.1258 0.2686 1.0268 0.772 5.61
  Ge9
Ge
0.1258 0.2686 1.0268 0.228 5.61
  Si10
Si
0.1222 0.1378 0.9298 1 5.61
  Si11
Si
0.1965 0.1328 0.8027 1 5.61
  Si12
Si
0.121 0.2547 0.704 0.927 5.61
  Ge12
Ge
0.121 0.2547 0.704 0.073 5.61
  Si13
Si
0.1936 0.1387 1.0048 1 5.61
  Si14
Si
0.1257 0.2626 1.1047 1 5.61
  Si15
Si
0.1212 0.0712 0.866 1 5.61
  Si16
Si
0.3801 0.0714 0.7644 0.69 5.61
  Ge16
Ge
0.3801 0.0714 0.7644 0.31 5.61
  Si17
Si
0 0.0691 0.7662 1 5.61
  Si18
Si
0.1899 0.1505 0.6623 0.791 5.61
  Ge18
Ge
0.1899 0.1505 0.6623 0.209 5.61
  Si19
Si
0.1848 0.3468 0.6479 1 5.61
  Si20
Si
0.3716 0.0723 1.0442 0.3 5.61
  Ge20
Ge
0.3716 0.0723 1.0442 0.7 5.61
  Si21
Si
0 0.0709 1.0404 1 5.61
  Si22
Si
0.3741 0.0714 0.6829 0.336 5.61
  Ge22
Ge
0.3741 0.0714 0.6829 0.664 5.61
  Si23
Si
0 0.0688 0.6838 1 5.61
  Ge24
Ge
0.3717 0.4244 0.6273 1 5.61
  Si25
Si
0 0.4288 0.6228 1 5.61
  O1
O
0 0.5 0.854 1 4.76
  O2
O
0 0.4193 0.9035 1 4.76
  O3
O
0.1027 0.3985 0.8461 1 4.76
  O4
O
0 0.5 0.952 1 4.76
  O5
O
0.1026 0.401 0.9613 1 4.76
  O6
O
0.3034 0.3771 0.8399 1 4.76
  O7
O
0.1776 0.2945 0.8686 1 4.76
  O8
O
0.1698 0.3202 0.8024 1 4.76
  O9
O
0.3036 0.3836 0.9673 1 4.76
  O10
O
0.1821 0.3038 0.9366 1 4.76
  O11
O
0.1715 0.3216 1.0038 1 4.76
  O12
O
0.5 0.4157 0.8581 1 4.76
  O13
O
0.3325 0.4284 0.9024 1 4.76
  O14
O
0.345 0.5 0.8444 1 4.76
  O15
O
0.1466 0.1998 0.9095 1 4.76
  O16
O
0 0.2831 0.9047 1 4.76
  O17
O
0 0.2564 0.7947 1 4.76
  O18
O
0.1853 0.2045 0.8001 1 4.76
  O19
O
0.1373 0.2665 0.7443 1 4.76
  O20
O
0.373 0.5 0.9589 1 4.76
  O21
O
0.5 0.4035 0.9433 1 4.76
  O22
O
0 0.2657 1.0227 1 4.76
  O23
O
0.1771 0.2076 1.0142 1 4.76
  O24
O
0.1557 0.279 1.066 1 4.76
  O25
O
0.1513 0.0835 0.9051 1 4.76
  O26
O
0 0.134 0.9394 1 4.76
  O27
O
0.1889 0.1314 0.9642 1 4.76
  O28
O
0.307 0.1124 0.7877 1 4.76
  O29
O
0.1035 0.1016 0.7812 1 4.76
  O30
O
0.1918 0.1129 0.8419 1 4.76
  O31
O
0 0.2392 0.6964 1 4.76
  O32
O
0.1932 0.1991 0.6926 1 4.76
  O33
O
0.1532 0.3138 0.6828 1 4.76
  O34
O
0.3056 0.1175 1.018 1 4.76
  O35
O
0.1029 0.1007 1.0233 1 4.76
  O36
O
0 0.2544 1.1082 1 4.76
  O37
O
0.1862 0.2023 1.1173 1 4.76
  O38
O
0.1622 0.3169 1.1277 1 4.76
  O39
O
0.14 0 0.858 1 4.76
  O40
O
0 0.088 0.8595 1 4.76
  O41
O
0.3566 0.0862 0.7248 1 4.76
  O42
O
0.5 0.0882 0.7728 1 4.76
  O43
O
0.359 0 0.7725 1 4.76
  O44
O
0 0.0724 0.725 1 4.76
  O45
O
0 0 0.7776 1 4.76
  O46
O
0.3013 0.1176 0.6588 1 4.76
  O47
O
0.1023 0.1016 0.6693 1 4.76
  O48
O
0.2967 0.379 0.6526 1 4.76
  O49
O
0.1016 0.398 0.6394 1 4.76
  O50
O
0.5 0.0892 1.0408 1 4.76
  O51
O
0.3332 0.0831 1.0853 1 4.76
  O52
O
0.351 0 1.0326 1 4.76
  O53
O
0 0 1.0326 1 4.76
  O54
O
0 0.0814 1.0816 1 4.76
  O55
O
0.5 0.0812 0.6726 1 4.76
  O56
O
0.339 0 0.6749 1 4.76
  O57
O
0 0 0.6717 1 4.76
  O58
O
0.361 0.5 0.6393 1 4.76
  O59
O
0.5 0.4019 0.6312 1 4.76
  O60
O
0 0.5 0.6313 1 4.76
  H201
O2-(H2O)
0.5 0.245 0.2059 1.16 9.86
  H202
O2-(H2O)
0.5 0.436 0.0425 1.17 9.86
  H203
O2-(H2O)
0.5 0.5 0.305 0.71 9.86
  H204
O2-(H2O)
0.5 0.5 0.6975 1.02 9.86
  H205
O2-(H2O)
0.157 0.613 0.7205 0.8 9.86