Structure 9015988

9015987 << 9015988 >> 9015989
Original COD entry Download CIF Download DOT

Citation: Giustetto, R.; Levy, D.; Wahyudi, O.; Ricchiardi, G.; Vitillo, J. G. (2011). Crystal structure refinement of a sepiolite/indigo Maya Blue pigment using molecular modelling and synchrotron diffraction Note: Sepiolite with indigo forming Maya Blue. European Journal of Mineralogy, 23, pp. 449-466.

Formula: C1.083 H5.48 Mg2 N0.136 O11.376 Si3

Cell parameters:

  • a = 13.271 Å
  • b = 27.072 Å
  • c = 5.2748 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

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span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C72 N16 O30 (C36 N8 O15)

Multiplicity: 1

Coordination sequences:

  • 3, 26, 53, 78, 75, 69, 63, 65, 69, 64
  • 4, 28, 34, 57, 64, 85, 86, 74, 74, 67
  • 7, 18, 32, 44, 64, 79, 92, 84, 77, 73
  • 8, 22, 32, 52, 64, 90, 90, 90, 78, 72
  • 10, 26, 35, 52, 69, 82, 88, 85, 69, 73
  • 10, 30, 42, 57, 71, 78, 81, 75, 66, 68
  • 11, 25, 35, 52, 69, 82, 88, 85, 69, 73
  • 14, 38, 61, 70, 79, 77, 74, 60, 69, 68
  • 16, 29, 36, 61, 65, 92, 82, 77, 76, 67
  • 16, 45, 62, 78, 77, 74, 71, 62, 71, 64
  • 16, 48, 69, 82, 71, 74, 60, 67, 69, 58
  • 17, 27, 45, 54, 78, 83, 88, 73, 71, 66
  • 17, 28, 47, 59, 79, 81, 84, 72, 69, 70
  • 17, 30, 37, 61, 67, 96, 84, 76, 74, 62
  • 17, 35, 44, 71, 70, 87, 75, 72, 60, 73
  • 17, 35, 51, 60, 86, 87, 74, 63, 69, 68
  • 17, 36, 50, 66, 72, 86, 69, 74, 72, 62
  • 18, 44, 75, 87, 70, 69, 63, 65, 69, 64
  • 18, 45, 68, 81, 76, 72, 66, 65, 69, 64
  • 18, 45, 76, 85, 72, 67, 65, 63, 69, 64
  • 18, 47, 64, 74, 83, 72, 72, 66, 61, 62
  • 19, 36, 43, 71, 72, 86, 81, 72, 60, 76
  • 19, 39, 54, 65, 82, 86, 68, 73, 71, 61
  • 19, 44, 62, 71, 81, 70, 74, 65, 67, 72
  • 19, 51, 62, 77, 83, 70, 70, 66, 59, 62
  • 20, 38, 56, 61, 84, 81, 73, 69, 69, 68
  • 20, 43, 63, 77, 77, 81, 65, 65, 69, 63
  • 20, 46, 74, 82, 75, 64, 67, 69, 58, 70
  • 21, 42, 72, 80, 76, 70, 65, 65, 69, 64
  • 21, 45, 77, 80, 74, 66, 65, 63, 69, 64
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C72 N16 O30 (C36 N8 O15)

Multiplicity: 1

Coordination sequences:

  • 3, 26, 53, 78, 75, 69, 63, 65, 69, 64
  • 4, 28, 34, 57, 64, 85, 86, 74, 74, 67
  • 7, 18, 32, 44, 64, 79, 92, 84, 77, 73
  • 8, 22, 32, 52, 64, 90, 90, 90, 78, 72
  • 10, 26, 35, 52, 69, 82, 88, 85, 69, 73
  • 10, 30, 42, 57, 71, 78, 81, 75, 66, 68
  • 11, 25, 35, 52, 69, 82, 88, 85, 69, 73
  • 14, 38, 61, 70, 79, 77, 74, 60, 69, 68
  • 16, 29, 36, 61, 65, 92, 82, 77, 76, 67
  • 16, 45, 62, 78, 77, 74, 71, 62, 71, 64
  • 16, 48, 69, 82, 71, 74, 60, 67, 69, 58
  • 17, 27, 45, 54, 78, 83, 88, 73, 71, 66
  • 17, 28, 47, 59, 79, 81, 84, 72, 69, 70
  • 17, 30, 37, 61, 67, 96, 84, 76, 74, 62
  • 17, 35, 44, 71, 70, 87, 75, 72, 60, 73
  • 17, 35, 51, 60, 86, 87, 74, 63, 69, 68
  • 17, 36, 50, 66, 72, 86, 69, 74, 72, 62
  • 18, 44, 75, 87, 70, 69, 63, 65, 69, 64
  • 18, 45, 68, 81, 76, 72, 66, 65, 69, 64
  • 18, 45, 76, 85, 72, 67, 65, 63, 69, 64
  • 18, 47, 64, 74, 83, 72, 72, 66, 61, 62
  • 19, 36, 43, 71, 72, 86, 81, 72, 60, 76
  • 19, 39, 54, 65, 82, 86, 68, 73, 71, 61
  • 19, 44, 62, 71, 81, 70, 74, 65, 67, 72
  • 19, 51, 62, 77, 83, 70, 70, 66, 59, 62
  • 20, 38, 56, 61, 84, 81, 73, 69, 69, 68
  • 20, 43, 63, 77, 77, 81, 65, 65, 69, 63
  • 20, 46, 74, 82, 75, 64, 67, 69, 58, 70
  • 21, 42, 72, 80, 76, 70, 65, 65, 69, 64
  • 21, 45, 77, 80, 74, 66, 65, 63, 69, 64
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 3

Formula: Mg12 O68 Si24 (Mg3 O17 Si6)

Multiplicity: 1

span 1 {1 1 1}