Structure 1521158

1521157 << 1521158 >> 1521159
Original COD entry Download CIF Download DOT

Citation: Hijar, C.A.; Jacubinas, R.M.; Henson, N.J.; Eckert, J.; Hay, P.J.; Ott, K.C. (2000). The siting of Ti in TS-1 is non-random. Powder neutron diffraction studies and theoretical calculations of TS-1 and FeS=1. J. Phys. Chem. B, 104, pp. 12157-12164.

Formula: O24 Si11.691 Ti0.309

Chemical name: Ti0.309 Si11.691 O24

Cell parameters:

  • a = 20.062 Å
  • b = 19.88 Å
  • c = 13.387 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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 Ti40 (O24 Si12 Ti5)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 7, 19, 28, 54, 78, 85, 100, 136
  • 2, 6, 7, 19, 29, 51, 72, 98, 113, 133
  • 2, 6, 8, 21, 32, 48, 64, 92, 112, 143
  • 2, 6, 9, 21, 30, 50, 65, 92, 107, 140
  • 2, 6, 9, 22, 28, 39, 57, 85, 110, 139
  • 2, 6, 9, 22, 33, 50, 63, 91, 115, 137
  • 2, 6, 9, 22, 35, 47, 61, 93, 114, 142
  • 2, 6, 9, 25, 39, 56, 65, 78, 114, 145
  • 2, 6, 10, 21, 30, 44, 52, 83, 117, 167
  • 3, 7, 9, 18, 27, 46, 69, 90, 104, 138
  • 3, 7, 10, 18, 30, 45, 55, 80, 111, 149
  • 3, 7, 11, 24, 36, 50, 58, 76, 109, 157
  • 3, 7, 12, 25, 29, 48, 69, 86, 114, 151
  • 3, 7, 13, 25, 29, 44, 62, 84, 116, 155
  • 3, 7, 13, 28, 40, 52, 63, 88, 128, 167
  • 3, 8, 15, 25, 29, 49, 62, 89, 114, 152
  • 3, 8, 16, 32, 43, 52, 62, 84, 127, 178
  • 3, 8, 17, 28, 35, 51, 69, 93, 129, 153
  • 3, 8, 17, 29, 28, 41, 66, 92, 137, 164
  • 3, 10, 19, 31, 39, 51, 68, 104, 136, 155
  • 4, 4, 12, 19, 42, 59, 76, 89, 122, 139
  • 4, 5, 13, 19, 34, 48, 78, 98, 118, 136
  • 4, 5, 13, 21, 37, 56, 80, 86, 113, 151
  • 4, 6, 6, 17, 22, 46, 55, 75, 92, 133
  • 4, 6, 15, 24, 34, 43, 67, 92, 122, 155
  • 4, 6, 15, 25, 36, 42, 65, 96, 137, 164
  • 4, 6, 15, 29, 44, 50, 71, 99, 123, 169
  • 4, 7, 19, 34, 47, 47, 66, 95, 130, 178
  • 4, 8, 14, 25, 33, 48, 65, 85, 116, 150
  • 4, 8, 16, 25, 29, 49, 64, 91, 121, 151
  • 4, 9, 14, 27, 29, 49, 62, 104, 120, 155
  • 4, 10, 17, 25, 28, 47, 66, 108, 133, 143
  • 4, 10, 20, 23, 37, 40, 74, 113, 137, 142
  • 5, 5, 12, 14, 35, 43, 67, 73, 111, 137
  • 5, 5, 15, 21, 37, 47, 71, 76, 125, 164
  • 5, 6, 14, 23, 38, 46, 67, 75, 111, 155
  • 5, 6, 16, 24, 34, 40, 70, 86, 126, 155
  • 6, 7, 12, 19, 35, 50, 66, 84, 111, 153
  • 6, 10, 20, 26, 40, 56, 75, 100, 140, 177
  • 6, 11, 20, 25, 40, 41, 82, 110, 142, 148
  • 7, 12, 21, 28, 41, 56, 76, 99, 135, 172
  • 7, 14, 22, 27, 38, 58, 84, 117, 140, 163
  • 9, 15, 22, 30, 39, 56, 96, 124, 139, 169
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