Database of Zeolite Structures
 
Framework Type -HOS
Powder Diffraction Pattern for HPM-16, as-made
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: C m m m   (# 65)   
  Cell parameters: a = 14.2205 Å b = 50.96Å c = 12.732 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |MEPI11.65F10|1 [Si95.36Ge40.64O276]1--HOS
MEPI = C9H17N2+ = 1-methyl-2-ethytl-3-n-propylimidazolium
= 2-ethyl-1-methyl-3-propylimidazol-1-ium
SMILES: C1=C[N](=C([N]1C)CC)CCC   Images:  stick or 3D
  Refinement: X-ray synchrotron Rietveld refinement, Rwp=0.070,Rp=0.052,Rexp=0.040
  Reference: Gao, Z. R., Balestra, S. R. G., Li, J.; Camblor, M. A.
Angew. Chem. Int. Ed., 60, 20249-20252 (2021)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.2079 0.0801 0.2011 0.87 1.7
  Ge1
Ge
0.2079 0.0801 0.2011 0.13 1.2
  Si2
Si
0.1097 0.1711 0.3736 0.55 1.7
  Ge2
Ge
0.1097 0.1711 0.3736 0.45 1.2
  Si3
Si
0.1081 0.0319 0.1287 0.6 1.7
  Ge3
Ge
0.1081 0.0319 0.1287 0.4 1.2
  Si4
Si
0.1114 0.113 0.3793 0.5 1.7
  Ge4
Ge
0.1114 0.113 0.3793 0.5 1.2
  Si5
Si
0.2251 0.1945 0.1981 1 1.7
  Si6
Si
0.3942 0.1 0.1224 0.6 1.7
  Ge6
Ge
0.3942 0.1 0.1224 0.4 1.2
  Si8
Si
0.1078 0.3369 0.1207 0.46 1.7
  Ge8
Ge
0.1078 0.3369 0.1207 0.54 1.2
  Si7
Si
0.1101 0.1078 0 0.82 1.7
  Ge7
Ge
0.1101 0.1078 0 0.18 1.2
  Si9
Si
0.1091 0.1714 0 0.94 1.7
  Ge9
Ge
0.1091 0.1714 0 0.06 1.2
  Si10
Si
0.2101 0.2502 0.1181 0.5 1.7
  O1
O
0.1851 0.0494 0.1941 1 2
  O2
O
0.3201 0.084 0.1971 1 2
  O3
O
0.1701 0.0909 0.3121 1 2
  O4
O
0.2491 0.2245 0.1771 1 2
  O5
O
0.1751 0.1922 0.3101 1 2
  O6
O
0.1601 0.0959 0.1051 1 2
  O7
O
0.1801 0.3216 0.2011 1 2
  O8
O
0.1191 0.1417 0.3181 1 2
  O9
O
0.1581 0.1833 0.1051 1 2
  O10
O
0.1361 0.3687 0.1181 1 2
  O11
O
0.1191 0.1401 0 1 2
  O12
O
0.1241 0.037 0 1 2
  O13
O
0.1161 0.3241 0 1 2
  O14
O
0.3931 0.0879 0 1 2
  O15
O
0.1231 0 0.1561 1 2
  O16
O
0 0.1791 0 1 2
  O17
O
0 0.1001 0 1 2
  O18
O
0 0.1811 0.3651 1 2
  O19
O
0 0.0409 0.1631 1 2
  O20
O
0 0.1038 0.3871 1 2
  O21
O
0 0.3333 0.1651 1 2
  O22
O
0 0.4028 0.1731 1 2
  O23
O
0.1421 0.1695 0.5 1 2
  O24
O
0.1571 0.1156 0.5 1 2
  O25
O
0.25 0.25 0 1 2
  O26
O
0.0971 0.2511 0.1161 0.5 2
  F1
F
0 0.13713 0.5 1 10
  F2
F
0 0.36522 0 1 10
  F3
F
0 0 0 1 10
  C1
C
0.173 0.015 0.578 0.364 10
  C2
C
0.221 0.001 0.654 0.364 10
  N3
N
0.299 0.015 0.68 0.364 10
  C4
C
0.297 0.037 0.618 0.364 10
  N5
N
0.221 0.037 0.555 0.364 10
  C6
C
0.191 0.056 0.477 0.364 10
  C7
C
0.373 0.057 0.616 0.364 10
  C8
C
0.437 0.054 0.521 0.364 10
  C9
C
0.37 0.007 0.757 0.364 10
  C10
C
0.352 0.021 0.862 0.364 10
  C11
C
0.427 0.013 0.943 0.364 10
  H12
H
0.107 0.009 0.541 0.364 10
  H13
H
0.201 -0.017 0.689 0.364 10
  H14
H
0.189 0.047 0.398 0.364 10
  H15
H
0.24 0.073 0.475 0.364 10
  H16
H
0.12 0.064 0.498 0.364 10
  H17
H
0.417 0.056 0.688 0.364 10
  H18
H
0.396 0.056 0.447 0.364 10
  H19
H
0.472 0.035 0.523 0.364 10
  H20
H
0.492 0.069 0.521 0.364 10
  H21
H
0.441 0.012 0.726 0.364 10
  H22
H
0.366 -0.015 0.769 0.364 10
  H23
H
0.282 0.015 0.892 0.364 10
  H24
H
0.353 0.042 0.851 0.364 10
  H25
H
0.498 0.019 0.915 0.364 10
  H26
H
0.425 -0.008 0.957 0.364 10
  H27
H
0.412 0.024 0.018 0.364 10
  H28
H
0.341 0.077 0.616 0.364 10
  C31
C
-0.31 0.793 0.49 0.364 10
  C32
C
-0.348 0.817 0.47 0.364 10
  N33
N
-0.44 0.814 0.45 0.364 10
  C34
C
-0.457 0.788 0.46 0.364 10
  N35
N
-0.378 0.7748 0.485 0.364 10
  C36
C
-0.365 0.7467 0.502 0.364 10
  C37
C
-0.551 0.775 0.44 0.364 10
  C38
C
-0.551 0.762 0.33 0.364 10
  C39
C
-0.506 0.835 0.42 0.364 10
  C40
C
-0.563 0.844 0.52 0.364 10
  C41
C
-0.633 0.865 0.49 0.364 10
  H42
H
-0.237 0.789 0.52 0.364 10
  H43
H
-0.312 0.836 0.48 0.364 10
  H44
H
-0.313 0.739 0.444 0.364 10
  H45
H
-0.431 0.736 0.493 0.364 10
  H46
H
-0.337 0.743 0.583 0.364 10
  H47
H
-0.608 0.79 0.44 0.364 10
  H48
H
-0.495 0.747 0.32 0.364 10
  H49
H
-0.538 0.777 0.27 0.364 10
  H50
H
-0.62 0.753 0.31 0.364 10
  H51
H
-0.553 0.829 0.36 0.364 10
  H52
H
-0.47 0.852 0.39 0.364 10
  H53
H
-0.514 0.851 0.58 0.364 10
  H54
H
-0.602 0.827 0.55 0.364 10
  H55
H
-0.68 0.858 0.43 0.364 10
  H56
H
-0.6 0.883 0.46 0.364 10
  H57
H
-0.673 0.871 0.56 0.364 10
  H58
H
-0.567 0.761 0.5 0.364 10


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)