Structure 9004503

9004502 << 9004503 >> 9004504
Original COD entry Download CIF Download DOT

Citation: Ballirano, P.; Bonaccorsi, E.; Merlino, S. (1998). Carbonate groups in davyne: Structural and crystal-chemical considerations. The Canadian Mineralogist, 36, pp. 1285-1292.

Formula: C0.39 Al3 Ca1.57 Cl1.134 Na2.43 O13.53 S0.09 Si3

Cell parameters:

  • a = 12.6916 Å
  • b = 12.6916 Å
  • c = 5.3333 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 1-3D

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 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C4 Ca18 Cl6 Na18 O14 S2 (C2 Ca9 Cl3 Na9 O7 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: Al6 O24 Si6 (Al O4 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 14, 39, 26, 64, 42, 104
  • 2, 6, 6, 17, 14, 38, 26, 64, 42, 104
  • 2, 6, 6, 18, 14, 35, 26, 70, 42, 96
  • 4, 4, 12, 10, 28, 20, 52, 34, 84, 54
span 1 {1 1 1}