Structure 9012756

9012753 << 9012756 >> 9012757
Original COD entry Download CIF Download DOT

Citation: Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R. (2008). Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum,. Journal of Physics: Conference Series, 117, pp. 012013-012013.

Formula: Al5 H O8

Cell parameters:

  • a = 5.6152 Å
  • b = 9.7264 Å
  • c = 8.8241 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: Al20 H4 O32 (Al5 H O8)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 18, 45, 87, 135, 242, 293, 435, 504
  • 3, 19, 39, 93, 141, 244, 310, 455, 546, 728
  • 4, 12, 48, 89, 153, 237, 355, 467, 580, 729
  • 4, 18, 45, 87, 135, 242, 293, 435, 504, 752
  • 4, 20, 42, 100, 155, 251, 349, 466, 597, 736
  • 4, 21, 49, 102, 169, 246, 358, 461, 607, 732
  • 6, 12, 49, 83, 154, 237, 357, 470, 573, 753
  • 10, 29, 64, 109, 192, 268, 366, 471, 634, 764
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