Database of Zeolite Structures

Framework Type TON
Reference Material
  Material Name: Theta-1    
Chemical Formula:
|DEA| [Si24O48]-TON
DEA = C4H11N = diethylamine = N-ethylethanamine
SMILES: CCNCC   Images:  stick or 3D
Unit Cell:§

 C m c 21 (# 63)
    a' = 13.8590 Å b' = 17.4200 Å c' = 5.0380 Å  
    α' = 90.000° β' = 90.000° γ' = 90.000°  
Framework Density:
19.7 T/1000 Å3
[001] 10 4.6 x 5.7*
  Sorption (molecular cross section > 3.4Å): 1-dimensional
  Topological (pore opening > 6-ring): 1-dimensional
  Barri, S.A.I., Smith, G.W., White, D. and Young, D.
  "Structure of Theta-1, the first unidimensional medium-pore high-silica zeolite"
Nature, 312, 533-534 (1984)
Material name:   Theta-1
Chemical formula:   |Nan (H2O)4 | [AlxSi24-xO48]-TON  (x<2)
  § Marler, B.
  "Silica-ZSM-22: synthesis and single crystal structure refinement"
Zeolites, 7, 393-397 (1987)
  Highcock, R.M., Smith, G.W. and Wood, D.
  "Structure of the New Zeolite Theta-1 Determined from X-ray Powder Data"
Acta Crystallogr., C41, 1391-1394 (1985)
Material name:   Theta-1
Chemical formula:   |Nan (H2O)4 | [AlxSi24-xO48]-TON  (x<2)
  Papiz, Z., Andrews, S.J., Damas, A.M., Harding, M.M. and Highcock, R.M.
  "Structure of the zeolite theta-1. Redetermination using single-crystal synchrotron radiation data"
Acta Crystallogr., C46, 172-173 (1990)
Material name:   Theta-1
Chemical formula:   [AlxSi24-xO48]-TON  (x<2)
Name and Code derivation:
    Theta-1 (one)
§ Chemical Formula and Unit Cell taken from the reference marked with this sign
Limiting Rings
10-ring viewed along [001]