Database of Zeolite Structures
 
Framework Type SEW
Powder Diffraction Pattern for SSZ-82
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 m m n   (# 59)   
  Cell parameters: a = 24.2783 Å b = 11.4665Å c = 14.1127 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si61.3B4.7O132]-SEW
  Refinement: X-ray synchrotron Rietveld refinement, Rw=0.140, RF=0.040, Rexp=0.129
  Reference: Xie, D., McCusker, L.B. and Baerlocher, Ch.
J. Am. Chem. Soc., 133, 20604-20610 (2011)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.75 0.25 0.0158 1 0.69
  Si2
Si
0.25 0.3864 0.1081 1 0.69
  Si3
Si
0.3157 0.75 0.3248 1 0.69
  Si4
Si
0.4311 0.5281 0.1025 1 0.69
  Si5
Si
0.3565 0.3862 0.2291 1 0.69
  Si6
Si
0.75 0.4987 0.0959 1 0.69
  Si7
Si
0.5513 0.6131 0.0871 1 0.69
  Si8
Si
0.3584 0.75 0.1131 1 0.69
  Si9
Si
0.6539 0.6156 0.2102 1 0.69
  Si10
Si
0.3167 0.5061 0.4078 0.75 0.69
  Si11
Si
0.6854 0.6195 0.4139 0.66 0.69
  B1
B
0.3167 0.5061 0.4078 0.25 0.69
  B2
B
0.6854 0.6195 0.4139 0.34 0.69
  O1
O
0.75 0.3604 0.0851 1 1.67
  O2
O
0.8026 0.25 0.9473 1 1.67
  O3
O
0.3042 0.4226 0.1661 1 1.67
  O4
O
0.25 0.457 0.0112 1 1.67
  O5
O
0.25 0.25 0.0825 1 1.67
  O6
O
0.3351 0.864 0.3832 1 1.67
  O7
O
0.3474 0.75 0.225 1 1.67
  O8
O
0.25 0.75 0.3042 1 1.67
  O9
O
0.4095 0.4537 0.1911 1 1.67
  O10
O
0.4927 0.5696 0.1247 1 1.67
  O11
O
0.4286 0.4553 0.0006 1 1.67
  O12
O
0.393 0.6383 0.0845 1 1.67
  O13
O
0.3491 0.4224 0.3378 1 1.67
  O14
O
0.3696 0.25 0.222 1 1.67
  O15
O
0.8043 0.534 0.1533 1 1.67
  O16
O
0.5942 0.5856 0.17 1 1.67
  O17
O
0.5491 0.75 0.0632 1 1.67
  O18
O
0.6523 0.5821 0.3213 1 1.67
  O19
O
0.6691 0.75 0.1909 1 1.67
  O20
O
0.3391 0.4685 0.5096 1 1.67
  O21
O
0.25 0.4933 0.4007 1 1.67
  O22
O
0.6649 0.75 0.4345 1 1.67
  O23
O
0.75 0.5938 0.4007 1 1.67
  Ow1
O
0.517 0.61 0.381 0.74 6.32
  Ow2
O
0.75 0.25 0.363 0.67 6.32
  Ow3
O
0.978 0.126 0.34 0.66 6.32
  Ow4
O
0.625 0.25 0.355 0.74 6.32


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