Structure 3000024

2312437 << 3000024 >> 3000048
Original COD entry Download CIF Download DOT

Citation: Kim Rijpstra; Stefaan Cottenier; Michel Waroquier; Veronique Van Speybroeck (2013). Crystal structure prediction for supersaturated AZO: the case of Zn3Al2O6. CrystEngComm, 15, pp. 10440-.

Formula: Al2 O6 Zn3

Cell parameters:

  • a = 7.651867 Å
  • b = 5.447268 Å
  • c = 3.241884 Å
  • α = 90.000000°
  • β = 90.000000°
  • γ = 109.709100°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: Al2 O6 Zn3 (Al2 O6 Zn3)

Multiplicity: 1

Coordination sequences:

  • 3, 17, 38, 95, 178, 261, 390, 532, 673, 862
  • 3, 18, 42, 89, 172, 264, 373, 521, 657, 849
  • 4, 20, 42, 108, 186, 259, 388, 524, 667, 863
  • 4, 20, 48, 110, 180, 269, 416, 529, 663, 904
  • 4, 24, 62, 111, 193, 296, 425, 553, 717, 912
  • 4, 29, 65, 121, 220, 313, 417, 606, 738, 902
  • 7, 22, 57, 112, 193, 288, 404, 572, 709, 879
  • 8, 23, 64, 121, 204, 310, 430, 557, 751, 919
  • 8, 24, 67, 122, 202, 322, 440, 556, 762, 937
  • 10, 28, 63, 140, 229, 311, 453, 614, 751, 949
  • 11, 37, 76, 149, 231, 339, 464, 606, 776, 988
span 1 {1 1 1}