Database of Zeolite Structures
 
Framework Type SVV
Powder Diffraction Pattern for SSZ-77
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 2 1   (# 5)   
  Cell parameters: a = 13.209 Å b = 13.3238Å c = 21.5551 Å
    α = 90° β = 123° γ = 90 °
  Chemical Formula [Si45.7Ge10.3O112]-SVV
  Refinement: X-ray synchrotron Rietveld refinement, Rw=0.128 RF=0.045, Rexp=0.071
  Reference: McCusker, L.B., Baerlocher, Ch., Burton, A.W. and Zones, S.I.
Solid State Sci., 13, 800-805 (2011)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.432 0.305 0.039 1 0.789
  Ge2
Ge
0.324 0.11 0.065 1 0.789
  Si3
Si
0.115 0.116 0.202 1 0.789
  Si4
Si
0.364 0.113 0.231 1 0.789
  Si5
Si
0.08 0.242 0.311 0.65 0.789
  Ge5
Ge
0.08 0.242 0.311 0.35 0.789
  Si6
Si
0.314 0.364 0.402 1 0.789
  Si7
Si
0.081 0.107 0.432 1 0.789
  Si8
Si
0.425 0.361 0.568 0.5 0.789
  Ge8
Ge
0.425 0.361 0.568 0.5 0.789
  Si9
Si
0.189 0.11 0.596 0.5 0.789
  Ge9
Ge
0.189 0.11 0.596 0.5 0.789
  Si10
Si
0.41 0.243 0.686 1 0.789
  Si11
Si
0.137 0.379 0.772 1 0.789
  Si12
Si
0.396 0.382 0.799 1 0.789
  Si13
Si
0.162 0.377 0.927 1 0.789
  Si14
Si
0.049 0.195 0.958 0.75 0.789
  Ge14
Ge
0.049 0.195 0.958 0.25 0.789
  O1
O
0.5 0.315 -0.004 0.5 1.18
  O2
O
0.006 0.204 0.016 0.5 1.18
  O3
O
0.173 0.127 -0.006 1 1.18
  O4
O
0.417 0.19 0.053 1 1.18
  O5
O
0.869 0.489 0.065 1 1.18
  O6
O
0.054 0.14 0.117 1 1.18
  O7
O
0.336 0.135 0.15 1 1.18
  O8
O
0.099 0 0.214 1 1.18
  O9
O
0.253 0.141 0.238 1 1.18
  O10
O
0.055 0.182 0.236 1 1.18
  O11
O
0.398 -0.004 0.252 1 1.18
  O12
O
0.472 0.181 0.289 1 1.18
  O13
O
0.195 0.315 0.338 1 1.18
  O14
O
0.112 0.161 0.378 1 1.18
  O15
O
0.287 0.484 0.394 1 1.18
  O16
O
0.427 0.337 0.395 1 1.18
  O17
O
0.343 0.323 0.48 1 1.18
  O18
O
0.175 0.145 0.516 1 1.18
  O19
O
0.404 0.486 0.573 1 1.18
  O20
O
0.058 0.135 0.591 1 1.18
  O21
O
0.375 0.302 0.613 1 1.18
  O22
O
0.305 0.166 0.668 1 1.18
  O23
O
0.037 0.309 0.708 1 1.18
  O24
O
0.43 0.32 0.749 1 1.18
  O25
O
0.264 0.353 0.782 1 1.18
  O26
O
0.142 0.358 0.847 1 1.18
  O27
O
0.492 0.359 0.883 1 1.18
  O28
O
0.074 0.306 0.937 1 1.18
  O29
O
0.301 0.356 0.991 1 1.18


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