Database of Zeolite Structures
 
Framework Type -SYT
Powder Diffraction Pattern for SYSU-3, 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: I 4/m c m   (# 140)   
  Cell parameters: a = 27.5504 Å b = 27.5504Å c = 14.112 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(DMSOP+2)8| [Si67.11Ge60.89O248(OH)16F16]--SYT
DMSOP+2 = C17H32N2+2 = N,N'-dimethylsophoridinium

SMILES: C[N@@+]12CCCC[C@@]1([C@@]3([C@]([H])([C@@]([H])(C2)CCC4)[N@+]4(CCC3)C)[H])[H]   Images:  stick or 3D
  Refinement: X-ray synchrotron Rietveld refinement, Rwp=0.205, Rexp=0.151
  Reference: Zhang, C., Kapaca, E., Li, J., Liu, Y., Yi, X., Zheng, A., Zou, X., Jiang, J., and Yu, J.
Angew. Chem. Int. Ed., 57, 6480-6485 (2018)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.13503 0.1793 0.15591 0.6040856 1.06245
  Ge1
Ge
0.13503 0.1793 0.15591 0.3959144 2.0635
  Si2
Si
0.03205 0.22565 0.15688 0.5082475 1.06245
  Ge2
Ge
0.03205 0.22565 0.15688 0.4917525 2.0635
  Si3
Si
0.104 0.10465 0 0.6261857 1.06245
  Ge3
Ge
0.104 0.10465 0 0.3738143 2.0635
  Si4
Si
0.16706 0.25402 0 0.7010316 1.06245
  Ge4
Ge
0.16706 0.25402 0 0.2989684 2.0635
  Si5
Si
0.00101 0.14783 0 0.3690995 1.06245
  Ge5
Ge
0.00101 0.14783 0 0.6309005 2.0635
  Si6
Si
0.06557 0.30111 0 0.2733649 1.06245
  Ge6
Ge
0.06557 0.30111 0 0.7266351 2.0635
  O1
O
0.12691 0.12961 0.09519 1 3.56652
  O2
O
0 0.241 0.25 1 3.56652
  O3
O
1.0026 0.18314 0.09614 1 3.56652
  O4
O
0.042 0.27577 0.09741 1 3.56652
  O5
O
0.16558 0.21954 0.09468 1 3.56652
  O6
O
0.08324 0.20206 0.18978 1 3.56652
  O7
O
0.21856 0.28144 0 1 3.56652
  O8
O
0.04596 0.10922 0 1 3.56652
  O9
O
0.11571 0.04848 0 1 3.56652
  O10
O
0.16607 0.16607 0.25 1 3.56652
  O11
O
0.12545 0.29591 0 1 3.56652
  O12
O
0.05066 0.35829 0 1 3.56652
  F1
F
0.42681 0.6987 0 0.75 4.85106
  F2
F
0.5 0.5 0.79897 0.5 4.85106
  N1
N
0.38217 0.93737 0.7157 0.25 4.99902
  N2
N
0.33762 0.828 0.5277 0.25 4.99902
  C1
C
0.41124 0.93782 0.807 0.375 4.99902
  C2
C
0.36391 0.98936 0.7059 0.3325 4.99902
  C3
C
0.40513 1.02772 0.7002 0.3325 4.99902
  C4
C
0.44611 1.01442 0.6308 0.3325 4.99902
  C5
C
0.43271 0.9708 0.5737 0.3325 4.99902
  C6
C
0.41647 0.92556 0.6298 0.29 4.99902
  C7
C
0.34336 0.90177 0.7402 0.3325 4.99902
  C8
C
0.34996 0.85504 0.6956 0.29 4.99902
  C9
C
0.35215 0.86898 0.5933 0.29 4.99902
  C10
C
0.40517 0.88049 0.5767 0.29 4.99902
  C11
C
0.43584 0.83761 0.602 0.3325 4.99902
  C12
C
0.42006 0.79257 0.5483 0.3325 4.99902
  C13
C
0.36556 0.78359 0.5519 0.3325 4.99902
  C14
C
0.29182 0.80503 0.565 0.3325 4.99902
  C15
C
0.30192 0.78572 0.6584 0.3325 4.99902
  C16
C
0.30771 0.82619 0.7215 0.3325 4.99902
  C17
C
0.32983 0.83911 0.4179 0.375 4.99902


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