Database of Zeolite Structures
 
Framework Type MWF
Powder Diffraction Pattern for ZSM-25
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: I m -3 m   (# 229)   
  Cell parameters: a = 45.0711 Å b = 45.0711Å c = 45.0711 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(TEA+)38(H2O)812| [Al334Si1106O2880]-MWF
TEA+ = C8H20N+ = tetraethylammonium ion
= tetraethylazanium
SMILES: CC[N+](CC)(CC)CC   Images:  stick or 3D
  Refinement: X-ray Rietveld refinement, Rwp=0.054,RF=0.043, Rexp=0.035
  Reference: Guo, P., Shin, J., Greenaway, A.G., Min, J.G., Su, J., Choi, H.J., Liu, L., Cox, P.A.., Hong, S.B., Wright, P.A. and Zou, X.D.
Nature, 524, 74-78 (2015)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.85473 0.58416 0.535 0.7681 0.8
  Al1
Al
0.85473 0.58416 0.535 0.2319 0.8
  Si2
Si
0.81152 0.63655 0.53462 0.7681 0.8
  Al2
Al
0.81152 0.63655 0.53462 0.2319 0.8
  Si3
Si
0.74251 0.64083 0.53401 0.7681 0.8
  Al3
Al
0.74251 0.64083 0.53401 0.2319 0.8
  Si4
Si
0.70006 0.58437 0.53449 0.7681 0.8
  Al4
Al
0.70006 0.58437 0.53449 0.2319 0.8
  Si5
Si
0.63219 0.58364 0.53323 0.7681 0.8
  Al5
Al
0.63219 0.58364 0.53323 0.2319 0.8
  Si6
Si
0.57809 0.08179 0.03486 0.7681 0.8
  Al6
Al
0.57809 0.08179 0.03486 0.2319 0.8
  Si7
Si
0.53546 0.13894 0.03409 0.7681 0.8
  Al7
Al
0.53546 0.13894 0.03409 0.2319 0.8
  Si8
Si
0.69524 0.64616 0.81322 0.7681 0.8
  Al8
Al
0.69524 0.64616 0.81322 0.2319 0.8
  Si9
Si
0.74404 0.57779 0.69562 0.7681 0.8
  Al9
Al
0.74404 0.57779 0.69562 0.2319 0.8
  Si10
Si
0.69512 0.64538 0.74596 0.7681 0.8
  Al10
Al
0.69512 0.64538 0.74596 0.2319 0.8
  Si11
Si
0.69422 0.81421 0.57733 0.7681 0.8
  Al11
Al
0.69422 0.81421 0.57733 0.2319 0.8
  Si12
Si
0.96522 0.69701 0.6472 0.7681 0.8
  Al12
Al
0.96522 0.69701 0.6472 0.2319 0.8
  Si13
Si
0.92287 0.80525 0.53349 0.7681 0.8
  Al13
Al
0.92287 0.80525 0.53349 0.2319 0.8
  Si14
Si
0.92226 0.35327 0.75003 0.7681 0.8
  Al14
Al
0.92226 0.35327 0.75003 0.2319 0.8
  Si15
Si
0.75 0.35296 0.14704 0.7681 0.8
  Al15
Al
0.75 0.35296 0.14704 0.2319 0.8
  Si16
Si
0.25 0.92261 0.57739 0.7681 0.8
  Al16
Al
0.25 0.92261 0.57739 0.2319 0.8
  O1
O
0.83179 0.60929 0.54794 1 1.2
  O2
O
0.77609 0.62815 0.5395 1 1.2
  O3
O
0.71934 0.61451 0.54237 1 1.2
  O4
O
0.66549 0.59549 0.5388 1 1.2
  O5
O
0.11106 0.59214 0.5433 1 1.2
  O6
O
0.55625 0.11056 0.0429 1 1.2
  O7
O
0.6858 0.61204 0.8218 1 1.2
  O8
O
0.70929 0.77985 0.6485 1 1.2
  O9
O
0.7368 0.68556 0.61146 1 1.2
  O11
O
0.77898 0.5733 0.7052 1 1.2
  O13
O
0.33387 0.55464 0.18102 1 1.2
  O14
O
0.33137 0.55522 0.2649 1 1.2
  O16
O
0.93445 0.77883 0.66489 1 1.2
  O17
O
0.94296 0.83357 0.45496 1 1.2
  O19
O
0.77808 0.93212 0.444 1 1.2
  O20
O
0.77865 0.66593 0.83943 1 1.2
  O21
O
0.74041 0.11231 0.34685 1 1.2
  O22
O
0.61212 0.07139 0.24207 1 1.2
  O23
O
0.88782 0.5383 0.18643 1 1.2
  O26
O
0.34126 0.27822 0.05817 1 1.2
  O15
O
0.8193 0.358 0.5 1 1.2
  O18
O
0.9309 0.7949 0.5 1 1.2
  O35
O
0.5725 0.0716 0 1 1.2
  O36
O
0.5447 0.1506 0 1 1.2
  O38
O
0.8492 0.5759 0.5 1 1.2
  O39
O
0.7351 0.6531 0.5 1 1.2
  O40
O
0.7055 0.5736 0.5 1 1.2
  O10
O
0.6241 0.5723 0.5 1 1.2
  O24
O
0.8469 0.5 0.2076 1 1.2
  O31
O
0.5665 0.0531 0.0531 1 1.2
  O32
O
0.8462 0.55406 0.55406 1 1.2
  O33
O
0.7089 0.55735 0.55735 1 1.2
  O25
O
0.33324 0.33324 0.0419 1 1.2
  O27
O
0.66651 0.66651 0.8206 1 1.2
  O28
O
0.7233 0.7233 0.5669 1 1.2
  O29
O
0.6113 0.6113 0.5434 1 1.2
  O30
O
0.7219 0.6552 0.7219 1 1.2
  O34
O
0.625 0.55663 0.55663 1 1.2
  O12
O
0.75 0.66314 0.66314 1 1.2
  O37
O
0.5 0.13125 0.0396 1 1.2
  N1
N
0.14761 0.14761 0.14761 0.36 10
  C1
C
0.12801 0.12801 0.12801 0.36 10
  C2
C
0.13747 0.1049 0.1049 0.12 10
  C3
C
0.16653 0.12816 0.16653 0.36 10
  C4
C
0.17529 0.09584 0.17529 0.36 10
  N2
N
0.12633 0.12633 0.12633 0.498 10
  C5
C
0.14592 0.14592 0.14592 0.498 10
  C6
C
0.13648 0.16917 0.16917 0.1661 10
  C7
C
0.10749 0.14592 0.10749 0.498 10
  C8
C
0.09866 0.17823 0.09866 0.498 10
  N3
N
0.7553 0.7553 0.7553 0.4031 10
  C9
C
0.7124 0.7124 0.74668 0.1344 10
  C10
C
0.73585 0.77412 0.77412 0.4031 10
  C11
C
0.70354 0.78297 0.78297 0.4031 10
  C12
C
0.73571 0.73571 0.73571 0.4031 10
  N4
N
0 0.27798 0 1 10
  C13
C
0 0.25821 -0.02734 0.5 10
  C14
C
0 0.27481 -0.05742 0.5 10
  C15
C
-0.02874 0.29767 0 0.5 10
  C16
C
-0.05882 0.28103 0 0.5 10
  N5
N
0 0.5 0 1 10
  C17
C
0 0.48023 -0.02734 0.25 10
  C18
C
0 0.49683 -0.05742 0.25 10
  C19
C
0 0.48024 0.02859 0.25 10
  C20
C
0 0.49682 0.05869 0.25 10
  Na1
Na
0 0.8541 0 0.9617 9.8
  Ow1
O
0 0.8541 0 0.039 9.8
  Na2
Na
0 0.7898 0 0.0423 9.8
  Ow2
O
0 0.7898 0 0.898 9.8
  Na3
Na
0.63 0 0 0.8106 9.8
  Ow3
O
0.63 0 0 0.192 9.8
  Na4
Na
0.433 0 0 0.2005 9.8
  Ow4
O
0.433 0 0 0.571 9.8
  Na5
Na
0.6104 0.6104 0.2648 1 9.8
  Ow5
O
0.0963 0.6912 0.0963 1 9.8
  Ow6
O
0.7222 0.0563 0.0563 1 9.8
  Ow7
O
0.1195 0.658 0.1195 1 9.8
  Na6
Na
0.38979 0.61021 0.03286 0.5 9.8
  Ow8
O
0.38979 0.61021 0.03286 0.5 9.8
  Ow9
O
0.05701 0.5 0.94299 1 9.8
  Na10
Na
0.6959 0.8999 0.6959 0.373 9.8
  Ow10
O
0.6959 0.8999 0.6959 0.63 9.8
  Na11
Na
0.2298 0.6529 0.7702 0.627 9.8
  Ow11
O
0.5 0.2702 0.2702 1 9.8
  Na13
Na
0.34286 0.5433 0.65714 0.5 9.8
  Ow13
O
0.34286 0.5433 0.65714 0.5 9.8
  Na7
Na
0.89601 0.53356 0.3115 0.25 9.8
  Ow16
O
0.89601 0.53356 0.3115 0.75 9.8
  Na8
Na
0.5 0.0571 0.2742 1 9.8
  Na9
Na
0.2738 0.5 0.8191 1 9.8
  Na12
Na
0.0814 0.9186 0.9186 0.515 9.8
  Ow12
O
0.3891 0.6109 0.6109 0.142 9.8
  Ow14
O
0.8364 0.8364 0.8364 0.142 9.8
  Ow15
O
0.7812 0.7812 0.7812 0.1938 9.8
  Ow17
O
0.9114 0 0 1 9.8
  Ow18
O
0.125 0.5819 0.875 1 9.8
  Ow19
O
0.9706 0.0493 0.0493 0.861 9.8
  Ow20
O
0.4889 0.8863 0.6637 0.866 9.8
  Ow21
O
0.2799 0.738 0.0374 1 9.8
  Ow22
O
0.2763 0.5 0 1 9.8
  Ow23
O
0.1017 0.3872 0.8443 1 9.8
  Ow24
O
0.13599 0.8003 0.86401 0.862 9.8


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