Structure 1540678

1540677 << 1540678 >> 1540679
Original COD entry Download CIF Download DOT

Citation: Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung (2016). Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite. Energy Environ. Sci., 9, pp. 1050-.

Formula: I24 O192 Si96

Chemical name: Iodine Silicalte-1

Cell parameters:

  • a = 13.354(3) Å
  • b = 20.087(4) Å
  • c = 19.868(4) Å
  • α = 90°
  • β = 90.72(3)°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

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}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: I24 (I)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: I24 (I)

Multiplicity: 1

span 1 {1 1 1}