Database of Zeolite Structures
 
Framework Type ACO
Powder Diffraction Pattern for ACP-1
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 2 m   (# 121)   
  Cell parameters: a = 10.24 Å b = 10.24Å c = 9.652 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(EDA)16 (H2O)8| [Al0.88Co7.12P8O32]-ACO
EDA = C2H8N2 = ethylenediamine
= ethane-1,2-diamine
SMILES: C(CN)N
;Images:  stick or 
  Refinement: X-ray single crystal refinement, Rp = 0.0775
  Reference: Feng, P., Bu, X. and Stucky, G.D.
Nature, 388, 735-741 (1997)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Co1
Co
0.6332 0.3668 0.1316 0.89 3.79
  Al1
Al
0.6332 0.3668 0.1316 0.11 3.79
  P1
P
0.6647 0.3353 0.8092 1 4.34
  O1
O
0.6999 0.3001 0.9553 1 5.37
  O2
O
0.4818 0.3036 0.2179 1 6
  O3
O
0.7417 0.2583 0.7049 1 11.2
  N1
N
0.5 0.1847 0.5 1 4.03
  C1
C
0.5017 0.0444 0.568 0.5 3
  O10
O
0.5 0.5 0 0.5 4.82
  O20
O
0.5 0.5 0.5 0.5 8.37


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