Structure 1526320

1526319 << 1526320 >> 1526321
Original COD entry Download CIF Download DOT

Citation: Henry, P.F.; Weller, M.T.; Wilson, C.C. (2001). Structural investigation of TS-1: determination of the true nonrandom titanium framework substitution and silicon vacancy distribution from powder neutron diffraction studies using isotopes. J. Phys. Chem. B, 105, pp. 7452-7458.

Formula: O2 Si0.9717

Chemical name: Si0.9717 O2

Cell parameters:

  • a = 20.1381 Å
  • b = 19.936 Å
  • c = 13.4169 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: O192 Si96 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 17, 14, 37, 27, 62, 45, 113
  • 2, 6, 6, 17, 16, 40, 28, 67, 44, 106
  • 2, 6, 6, 17, 16, 40, 30, 71, 48, 119
  • 2, 6, 6, 18, 14, 34, 26, 66, 46, 108
  • 2, 6, 6, 18, 14, 34, 27, 69, 48, 113
  • 2, 6, 6, 18, 14, 34, 28, 71, 46, 108
  • 2, 6, 6, 18, 15, 36, 26, 65, 44, 105
  • 2, 6, 6, 18, 15, 36, 26, 65, 45, 106
  • 2, 6, 6, 18, 15, 36, 26, 65, 46, 112
  • 2, 6, 6, 18, 15, 36, 26, 66, 46, 109
  • 2, 6, 6, 18, 15, 37, 26, 64, 46, 109
  • 2, 6, 6, 18, 15, 37, 27, 66, 48, 111
  • 2, 6, 6, 18, 15, 37, 28, 68, 49, 115
  • 2, 6, 6, 18, 15, 37, 28, 69, 48, 110
  • 2, 6, 6, 18, 15, 38, 28, 66, 43, 101
  • 2, 6, 6, 18, 15, 38, 28, 66, 46, 110
  • 2, 6, 6, 18, 15, 38, 29, 67, 44, 108
  • 2, 6, 6, 18, 16, 38, 27, 69, 44, 105
  • 2, 6, 6, 18, 16, 38, 27, 70, 46, 108
  • 2, 6, 6, 18, 16, 40, 27, 66, 46, 106
  • 2, 6, 6, 18, 16, 40, 28, 66, 44, 103
  • 2, 6, 6, 18, 16, 40, 28, 68, 47, 109
  • 2, 6, 6, 18, 17, 41, 29, 70, 48, 115
  • 2, 6, 6, 18, 17, 42, 29, 68, 44, 105
  • 2, 6, 6, 18, 18, 42, 28, 70, 48, 112
  • 2, 6, 6, 18, 18, 44, 30, 70, 46, 107
  • 4, 4, 12, 11, 29, 22, 53, 36, 88, 61
  • 4, 4, 12, 11, 29, 23, 55, 39, 97, 62
  • 4, 4, 12, 12, 30, 21, 54, 36, 85, 61
  • 4, 4, 12, 12, 30, 22, 55, 39, 98, 64
  • 4, 4, 12, 12, 30, 22, 57, 40, 92, 61
  • 4, 4, 12, 12, 30, 23, 58, 37, 90, 62
  • 4, 4, 12, 12, 31, 21, 52, 37, 88, 63
  • 4, 4, 12, 12, 31, 22, 54, 41, 97, 61
  • 4, 4, 12, 12, 32, 22, 54, 38, 89, 59
  • 4, 4, 12, 12, 32, 23, 54, 38, 94, 59
  • 4, 4, 12, 12, 32, 24, 57, 38, 95, 63
  • 4, 4, 12, 12, 33, 24, 56, 38, 89, 56
span 1 {1 1 1}