Database of Zeolite Structures
 
Framework Type SBE
Powder Diffraction Pattern for UCSB-8Co
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 4/n n c   (# 126)   
  Cell parameters: a = 19.0654 Å b = 19.0654Å c = 27.594 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(DAN)16 | [Al32Co32P64O256]-SBE
DAN = C9H22N2 = 1,9-diaminononane
= nonane-1,9-diamine
SMILES: C(CCCCN)CCCCN   Images:  stick or 3D
  Refinement: X-ray single crystal refinement, RF = 0.098, Rw = 0.26
  Comment: second origin choice in IT
  Reference: Bu, X., Feng, P. and Stucky, G.D.
Science, 278, 2080-2085 (1997)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Al1
Al
0.4567 0.1672 0.5127 0.5 2.3
  Co1
Co
0.4567 0.1672 0.5127 0.5 2.3
  Al2
Al
0.3317 0.0477 0.8051 0.5 2.4
  Co2
Co
0.3317 0.0477 0.8051 0.5 2.4
  Al3
Al
0.3269 -0.0423 0.5995 0.5 2.3
  Co3
Co
0.3269 -0.0423 0.5995 0.5 2.3
  Al4
Al
0.4015 -0.1712 0.9551 0.5 2.4
  Co4
Co
0.4015 -0.1712 0.9551 0.5 2.4
  P1
P
0.3358 0.049 0.5055 1 2.6
  P2
P
0.3335 0.0501 0.6916 1 2.1
  P3
P
0.3381 -0.0486 0.8941 1 2.4
  P4
P
0.3991 -0.1636 0.5484 1 2.4
  O1
O
0.3443 0.0224 0.7421 1 3
  O2
O
0.3817 0.1116 0.4947 1 4.8
  O3
O
0.3797 -0.1151 0.9041 1 4.5
  O4
O
0.3798 -0.1174 0.5918 1 3.9
  O5
O
0.3495 -0.0085 0.6576 1 4.3
  O6
O
0.3491 -0.0278 0.8419 1 3.8
  O7
O
0.3475 -0.1555 0.0081 1 3.9
  O8
O
0.3524 0.0209 0.5559 1 3.9
  O9
O
0.3808 0.1121 0.6815 1 4.9
  O10
O
0.5292 0.1415 0.4681 1 4.3
  O11
O
0.3969 -0.2397 0.5644 1 4.5
  O12
O
0.2391 -0.0627 0.5963 1 4.8
  O13
O
0.2585 0.0743 0.6842 1 3.2
  O14
O
0.4306 0.2596 0.5031 1 4.3
  O15
O
0.3519 -0.0073 0.4685 1 4.3
  O16
O
0.4888 0.1397 0.574 1 4.5
  N1
N
0.4831 0.0187 0.415 1 6.1
  C1
C
0.4727 0.0323 0.3615 1 7.7
  C2
C
0.408 0.1047 0.3607 1 2.2


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