Structure 9007285

9007284 << 9007285 >> 9007310
Original COD entry Download CIF Download DOT

Citation: Majzlan J; Stevens R; Boerio-Goates J; Woodfield B F; Navrotsky A; Burns P C; Crawford M K; Amos T G (2004). Thermodynamic properties, low-temperature heat-capacity anomalies, and single-crystal X-ray refinement of hydronium jarosite, (H3O)Fe3(SO4)2(OH)6 Note: Rietveld refinement of synchrotron X-ray diffraction pattern. Physics and Chemistry of Minerals, 31, pp. 518-531.

Formula: Fe3 H9 O15 S2

Cell parameters:

  • a = 7.3499 Å
  • b = 7.3499 Å
  • c = 17.0104 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}