Structure 4002324

4002323 << 4002324 >> 4002325
Original COD entry Download CIF Download DOT

Citation: Nair, S.; Jeong, H.-K.; Tsapatsis, M.; Chandrasekaran, A.; Kuznicki, S.M.; Braunbarth, C. (2001). Synthesis and structure determination of ETS-4 single crystals. Chemistry of Materials (1,1989-), 13, pp. 4247-4254.

Formula: H18.9 Na8 O47.45 Si12 Ti5

Chemical name: Na8 (Ti5 H2 Si12 O39) (H2 O)8.45

Cell parameters:

  • a = 23.2272 Å
  • b = 7.1751 Å
  • c = 6.9727 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

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

Dimensionality: 3

Formula: O48 Si16 Ti8 (O6 Si2 Ti)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 10, 10, 30, 26, 54, 50, 100, 102
  • 2, 6, 6, 20, 18, 44, 38, 76, 76, 150
  • 2, 6, 8, 26, 26, 60, 44, 99, 82, 198
  • 2, 8, 8, 21, 21, 54, 49, 106, 81, 163
  • 2, 10, 8, 22, 18, 45, 50, 114, 94, 166
  • 3, 7, 10, 25, 21, 58, 43, 100, 79, 172
  • 3, 9, 9, 20, 18, 47, 46, 102, 81, 145
  • 4, 5, 16, 17, 44, 36, 80, 62, 149, 112
  • 4, 8, 8, 20, 16, 44, 44, 118, 68, 140
  • 5, 7, 16, 14, 32, 35, 85, 69, 124, 107
  • 6, 6, 16, 14, 34, 34, 74, 70, 144, 94
  • 6, 6, 18, 14, 36, 40, 94, 80, 146, 98
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Na2 O4 (Na O2)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Na2 O4 (Na O2)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}