Structure 4124000

4123999 << 4124000 >> 4124001
Original COD entry Download CIF Download DOT

Citation: Celestian, A.J.; Kubicki, J.D.; Hanson, J.; Parise, J.B.; Clearfield, A. (2008). The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate. Journal of the American Chemical Society, 130, pp. 11689-11694.

Formula: Cs H3 O8 Si Ti2

Chemical name: Cs1 H Si Ti2 O7 (H2 O)

Cell parameters:

  • a = 11.0342 Å
  • b = 11.0342 Å
  • c = 11.8797 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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Molecules

CIF datablock 0, entity 1 of 3

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

Dimensionality: 3

Formula: H8 O56 Si8 Ti16 (H O7 Si Ti2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 13, 11, 26, 32, 59, 78, 112, 122
  • 2, 10, 13, 26, 40, 56, 83, 105, 151, 167
  • 2, 11, 14, 25, 40, 55, 83, 105, 150, 168
  • 2, 14, 24, 21, 36, 70, 100, 114, 146, 159
  • 2, 16, 25, 18, 36, 70, 100, 114, 142, 163
  • 3, 13, 12, 26, 33, 58, 78, 112, 120, 156
  • 4, 4, 20, 24, 42, 60, 70, 126, 150, 172
  • 4, 13, 11, 26, 32, 59, 78, 112, 122, 154
  • 8, 13, 18, 30, 46, 70, 92, 121, 137, 195
  • 9, 14, 17, 30, 45, 70, 92, 119, 139, 193
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Cs4 (Cs)

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;0;1)

Dimensionality: 1

Formula: Cs4 (Cs)

Multiplicity: 1

Coordination sequences:

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