Database of Zeolite Structures
 
Framework Type -SVR
Powder Diffraction Pattern for SSZ-74
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 1 c 1   (# 9)   
  Cell parameters: a = 20.4756 Å b = 13.3839Å c = 20.0859 Å
    α = 90° β = 102.1° γ = 90 °
  Chemical Formula |(MPH+2)4| [Si92☐4O176(OH)16]--SVR
MPH+2 = C16H34N2+2
= 1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
SMILES: C[N+]1(CCCC1)CCCCCC[N+]2(CCCC2)C
;Images:  stick or 
  Refinement:
  Reference: Baerlocher, Ch., Xie, D., McCusker, L.B., Hwang, S.-J., Chan, I.Y., Ong, K., Burton, A.W. and Zones, S.I.
Nature Mater., 7, 631-635 (2008)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.08721 0.43454 0.03333 1 1.4
  Si2
Si
0.19368 0.2891 0.11511 1 1.4
  Si3
Si
0.31124 0.42001 0.08809 1 1.4
  Si4
Si
0.43127 0.28719 0.14741 1 1.4
  Si5
Si
0.38896 0.07789 0.09632 1 1.4
  Si6
Si
0.23217 0.07658 0.07169 1 1.4
  Si7
Si
0.57997 0.29326 0.18457 1 1.4
  Si8
Si
0.697 0.42668 0.18022 1 1.4
  Si9
Si
0.81944 0.28536 0.24413 1 1.4
  Si10
Si
0.78224 0.07452 0.19553 1 1.4
  Si11
Si
0.62549 0.07625 0.15231 1 1.4
  Si12
Si
0.93183 0.4457 0.23203 1 1.4
  Si14
Si
0.81594 0.28229 0.39997 1 1.4
  Si15
Si
0.69463 0.42062 0.412 1 1.4
  Si16
Si
0.58018 0.29916 0.34123 1 1.4
  Si17
Si
0.63205 0.08595 0.39405 1 1.4
  Si18
Si
0.78773 0.07273 0.4394 1 1.4
  Si19
Si
0.42415 0.29339 0.30303 1 1.4
  Si20
Si
0.31488 0.44108 0.32636 1 1.4
  Si21
Si
0.19858 0.29521 0.27466 1 1.4
  Si22
Si
0.22568 0.06573 0.30274 1 1.4
  Si23
Si
0.38161 0.08018 0.33648 1 1.4
  Si24
Si
0.08465 0.44032 0.26735 1 1.4
  O1
O
0.12556 0.34463 0.07855 1 1.03
  O2
O
0.0996 0.53636 0.07595 1 1.03
  O3
O
1.00829 0.41024 0.0141 1 1.03
  O4
O
0.1153 0.44723 0.96524 1 1.03
  O5
O
0.25487 0.34134 0.09209 1 1.03
  O6
O
0.19255 0.17189 0.09352 1 1.03
  O7
O
0.20454 0.30134 0.1962 1 1.03
  O8
O
0.38139 0.3625 0.09948 1 1.03
  O9
O
0.2931 0.47088 0.01419 1 1.03
  O10
O
0.31292 0.50293 0.14576 1 1.03
  O11
O
0.42815 0.18052 0.11197 1 1.03
  O12
O
0.50513 0.32925 0.15502 1 1.03
  O13
O
0.41361 0.27777 0.22169 1 1.03
  O14
O
0.31041 0.10161 0.08563 1 1.03
  O15
O
0.41188 0.00056 0.15889 1 1.03
  O16
O
0.40527 0.03092 0.02821 1 1.03
  O17
O
0.20608 0.05313 0.99215 1 1.03
  O18
O
0.22004 0.98043 0.11632 1 1.03
  O19
O
0.62828 0.36691 0.1536 1 1.03
  O20
O
0.59675 0.29928 0.26653 1 1.03
  O21
O
0.59025 0.18087 0.16141 1 1.03
  O22
O
0.7521 0.34674 0.21497 1 1.03
  O23
O
0.68605 0.50705 0.23659 1 1.03
  O24
O
0.81874 0.18182 0.20295 1 1.03
  O25
O
0.88313 0.35238 0.23555 1 1.03
  O26
O
0.82309 0.26028 0.32323 1 1.03
  O27
O
0.70443 0.091 0.16637 1 1.03
  O28
O
0.79181 1.02184 0.26791 1 1.03
  O29
O
0.60678 -0.00297 0.20534 1 1.03
  O30
O
0.92554 0.52468 0.29033 1 1.03
  O31
O
0.00757 0.40747 0.24526 1 1.03
  O32
O
0.90069 0.53721 0.41299 1 1.03
  O33
O
0.87308 0.35995 0.4338 1 1.03
  O34
O
0.74324 0.33072 0.3994 1 1.03
  O35
O
0.82408 0.17952 0.4429 1 1.03
  O36
O
0.61812 0.38959 0.38457 1 1.03
  O37
O
0.71062 0.5169 0.37103 1 1.03
  O38
O
0.60516 0.19676 0.3784 1 1.03
  O39
O
0.5015 0.31091 0.33705 1 1.03
  O40
O
0.71145 0.08422 0.40046 1 1.03
  O41
O
0.59694 0.01204 0.33341 1 1.03
  O42
O
0.82459 0.99579 0.39894 1 1.03
  O43
O
0.38397 0.39064 0.31807 1 1.03
  O44
O
0.39668 0.19762 0.33706 1 1.03
  O45
O
0.25836 0.35693 0.32112 1 1.03
  O46
O
0.20285 0.1808 0.2991 1 1.03
  O47
O
0.12878 0.34169 0.28397 1 1.03
  O48
O
0.30431 0.05931 0.30432 1 1.03
  C1
C
0.0713 0.13434 0.46037 1.33 5.9
  C2
C
0.12608 0.21127 0.48372 1.33 5.9
  C3
C
0.09776 0.31146 0.45776 1.33 5.9
  C4
C
0.02426 0.29659 0.42647 1.33 5.9
  N5
N
0.00957 0.18762 0.42486 1 4.21
  C6
C
-0.04602 0.16889 0.46088 1.5 5.9
  C7
C
-0.0096 0.15196 0.35267 1.33 5.9
  C8
C
0.02412 0.07211 0.31696 1.33 5.9
  C9
C
-0.01621 0.05281 0.24453 1.33 5.9
  C10
C
0.01049 0.11371 0.19115 1.33 5.9
  C11
C
-0.00322 0.124 0.11375 1.33 5.9
  C12
C
-0.0351 0.22559 0.09249 1.33 5.9
  N13
N
-0.10171 0.21381 0.04374 1 4.21
  C14
C
-0.09425 0.14908 -0.01495 1.5 5.9
  C15
C
-0.12914 0.31269 0.01703 1.33 5.9
  C16
C
-0.20469 0.30796 0.00922 1.33 5.9
  C17
C
-0.21976 0.21626 0.04697 1.33 5.9
  C18
C
-0.15269 0.16979 0.07875 1.33 5.9


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