Structure 9017621

9017620 << 9017621 >> 9017622
Original COD entry Download CIF Download DOT

Citation: Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L. (2013). The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 8.779 GPa. Mineralogical Magazine, 77, pp. 3007-3017.

Formula: Fe3 H6 Na O14 S2

Cell parameters:

  • a = 7.1594 Å
  • b = 7.1594 Å
  • c = 15.6003 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

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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)

Dimensionality: 2

Formula: Fe3 O14 S2 (Fe3 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 12, 9, 30, 18, 57, 24, 72
  • 2, 8, 5, 17, 12, 40, 22, 66, 28, 86
  • 2, 10, 8, 25, 15, 49, 24, 71, 31, 95
  • 4, 3, 12, 9, 30, 18, 57, 24, 72, 33
  • 6, 6, 20, 12, 40, 22, 66, 28, 86, 36
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CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: Fe3 O14 S2 (Fe3 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 12, 9, 30, 18, 57, 24, 72
  • 2, 8, 5, 17, 12, 40, 22, 66, 28, 86
  • 2, 10, 8, 25, 15, 49, 24, 71, 31, 95
  • 4, 3, 12, 9, 30, 18, 57, 24, 72, 33
  • 6, 6, 20, 12, 40, 22, 66, 28, 86, 36
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CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: Fe3 O14 S2 (Fe3 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 12, 9, 30, 18, 57, 24, 72
  • 2, 8, 5, 17, 12, 40, 22, 66, 28, 86
  • 2, 10, 8, 25, 15, 49, 24, 71, 31, 95
  • 4, 3, 12, 9, 30, 18, 57, 24, 72, 33
  • 6, 6, 20, 12, 40, 22, 66, 28, 86, 36
span 1 {1 1 1}