Database of Zeolite Structures
 

Framework Type DFT
Reference Material
  Material Name: DAF-2    
 
Chemical Formula:
 
|(EDA)2 |8 [Co4P4O16]8-DFT
EDA = C2H8N2 = ethylenediamine
= ethane-1,2-diamine
SMILES: C(CN)N   Images:  stick or 3D
 
   
Unit Cell:
 
monoclinic

 I 1 1 2/b (# 131)
    a' = 14.7190 Å b' = 14.7340 Å c' = 17.8910 Å  
    α' = 90.000° β' = 90.000° γ' = 90.020°  
(Relationship to unit cell of Framework Type: a' = 2a, b' = 2a, c' = 2c)
   
Framework Density:
 
16.5 T/1000 Å3
 
 
Channels:
 
[001] 8 4.1 x 4.1* <-> [100] 8 1.8 x 4.7* <-> [010] 8 1.8 x 4.7*
Dimensionality
  Sorption (molecular cross section > 3.4Å): 1-dimensional
  Topological (pore opening > 6-ring): 3-dimensional
   
References:
  Chen, J., Jones, R.H., Natarajan, S., Hursthouse, M.B. and Thomas, J.M.
  "A novel open-framework cobalt phosphate containing a tetrahedrally coordinated cobalt(II) center: CoPO4·0.5C2H10N2"
Angew. Chem. Int. Ed., 33, 639-640 (1994)
 
 
Name and Code derivation:
    Davy Faraday Research Laboratory - two
  DAF-2 (two)
  DFT
Limiting Rings
 
8-ring viewed along [001]

8-ring viewed along [100]

8-ring viewed along [010]