Database of Zeolite Structures
 
Framework Type -EWT
Powder Diffraction Pattern for EMM-23
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 3 1 c   (# 159)   
  Cell parameters: a = 19.748 Å b = 19.748Å c = 13.8585 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |(PDPP+2)3| [Si64O116(OH)24]--EWT
PDPP+2 = C19H40N2+2 = 1,1-(pentane-1,5-diyl)bis(1-propylpyrrolidinium) ion
= 1-Propyl-1-[5-(1-propylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
SMILES: CCC[N+]1(CCCC1)CCCCC[N+]2(CCCC2)CCC   Images:  stick or 3D
  Refinement:
  Reference: Willhammar, T., Burton, A.W., Yun, Y., Sun J., Afeworki, M., Strohmaier, K.H., Vroman, H. and Zou, X.
J. Am. Chem. Soc., 136, 13570-13573 (2014)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.92 0.4535 0.595 1 0.73
  Si2
Si
0.7864 0.2844 0.622 1 0.73
  Si3
Si
0.7012 0.1332 0.51 1 0.73
  Si4
Si
0.786 0.0413 0.757 0.33 0.73
  Si5
Si
0.9177 0.4457 1.005 1 0.73
  Si6
Si
0.7855 0.2793 0.983 1 0.73
  Si7
Si
0.6906 0.1279 0.096 1 0.73
  Si8
Si
0.7708 0.1874 0.799 1 0.73
  Si9
Si
0.5899 0.0753 0.803 1 0.73
  Si10
Si
0.3875 0.3145 0.303 1 0.73
  Si11
Si
0.7331 0.9995 0.547 0.67 0.73
  Si12
Si
0.66667 0.33333 0.697 1 0.73
  Si13
Si
0.66667 0.33333 0.923 1 0.73
  O1
O
0.8973 0.5112 0.541 1 1.87
  O2
O
0.93 0.4706 0.708 1 1.87
  O3
O
0.8586 0.3632 0.582 1 1.87
  O4
O
0.7207 0.3012 0.659 1 1.87
  O5
O
0.752 0.2227 0.537 1 1.87
  O6
O
0.8109 0.2448 0.707 1 1.87
  O7
O
0.709 0.1285 0.394 1 1.87
  O8
O
0.7394 0.0842 0.556 1 1.87
  O9
O
0.78 0.989 0.636 0.67 1.87
  O9"
O
0.785 0.044 0.64 0.33 2.16
  O11
O
0.8846 0.494 0.06 1 2.16
  O12
O
0.92 0.4623 0.893 1 2.16
  O13
O
0.8629 0.3535 1.02 1 2.16
  O14
O
0.7179 0.2976 0.964 1 2.16
  O15
O
0.7583 0.2153 0.07 1 2.16
  O16
O
0.8061 0.2416 0.894 1 2.16
  O17
O
0.689 0.1218 0.21 1 2.16
  O18
O
0.7067 0.0648 1.045 1 2.16
  O19
O
0.783 0.008 0.951 0.67 2.16
  O20
O
0.8588 0.031 0.789 0.33 2.16
  O21
O
0.0004 0.4662 0.55 1 2.16
  O22
O
0.7378 0.033 0.293 1 2.16
  O23
O
0.6784 0.147 0.797 1 2.16
  O24
O
0.8 0.1238 0.799 1 2.16
  O25
O
0.5868 0.994 0.816 1 2.16
  O26
O
0.66667 0.33333 0.81 1 2.16
  C1
C
0.686 0.691 0.299 0.33 3.02
  N1
N
0.748 0.743 0.225 0.33 3.02
  C2
C
0.776 0.691 0.175 0.33 3.02
  C3
C
0.766 0.696 0.065 0.33 3.02
  C4
C
0.727 0.748 0.049 0.33 3.02
  C5
C
0.713 0.772 0.149 0.33 3.02
  C6
C
0.817 0.81 0.276 0.33 3.02
  C7
C
0.848 0.778 0.354 0.33 3.02
  C8
C
0.827 0.789 0.456 0.33 3.02
  C9
C
0.714 0.637 0.341 0.33 3.02
  C10
C
0.653 0.551 0.329 0.33 3.02
  C11
C
0.682 0.503 0.275 0.33 3.02
  C12
C
0.652 0.421 0.318 0.33 3.02
  N2
N
0.651 0.344 0.299 0.33 3.02
  C13
C
0.635 0.299 0.394 0.33 3.02
  C14
C
0.569 0.215 0.372 0.33 3.02
  C15
C
0.538 0.214 0.268 0.33 3.02
  C16
C
0.588 0.297 0.225 0.33 3.02
  C17
C
0.731 0.362 0.26 0.33 3.02
  C18
C
0.816 0.385 0.241 0.33 3.02
  C19
C
0.851 0.358 0.319 0.33 3.02
  C1"
C
1.038 0.213 0.628 0.17 3.02
  N1"
N
1.019 0.213 0.525 0.17 3.02
  C2"
C
0.941 0.208 0.503 0.17 3.02
  C3"
C
0.956 0.263 0.414 0.17 3.02
  C4"
C
1.046 0.298 0.388 0.17 3.02
  C5"
C
1.083 0.267 0.46 0.17 3.02
  C6"
C
1.048 0.178 0.454 0.17 3.02
  C7"
C
0.986 0.095 0.424 0.17 3.02
  C8"
C
0.998 0.074 0.322 0.17 3.02
  C9"
C
1.042 0.281 0.686 0.17 3.02
  C10"
C
1.093 0.299 0.777 0.17 3.02
  C11"
C
1.045 0.272 0.87 0.17 3.02
  C12"
C
1.01 0.184 0.889 0.17 3.02
  N2"
N
1.007 0.168 0.998 0.17 3.02
  C13"
C
1.087 0.223 1.042 0.17 3.02
  C14"
C
1.074 0.277 0.972 0.17 3.02
  C15"
C
0.985 0.252 0.97 0.17 3.02
  C16"
C
0.944 0.181 1.045 0.17 3.02
  C17"
C
0.987 0.084 1.014 0.17 3.02
  C18"
C
0.98 0.066 1.122 0.17 3.02
  C19"
C
0.958 -0.019 1.143 0.17 3.02
  Ow1
O
0.075 0.13 0.483 0.5 11.8
  Ow2
O
0.98 1.044 0.241 0.33 11.8
  Ow3
O
0.912 0.941 0.346 0.33 11.8


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