Structure 9015624

9015623 << 9015624 >> 9015625
Original COD entry Download CIF Download DOT

Citation: Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. (2012). Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 200 C. Mineralogical Magazine, 76, pp. 613-623.

Formula: Al2.916 H6.117 K0.876 Na0.071 O14.039 S2

Cell parameters:

  • a = 6.9806 Å
  • b = 6.9806 Å
  • c = 17.425 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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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: Al3 H6 O14 S2 (Al3 H6 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 14, 25, 27, 49, 48, 71, 63
  • 1, 3, 3, 12, 18, 30, 33, 57, 51, 72
  • 2, 8, 9, 17, 22, 40, 42, 66, 58, 86
  • 3, 10, 14, 25, 27, 49, 48, 71, 63, 95
  • 4, 3, 12, 18, 30, 33, 57, 51, 72, 66
  • 6, 10, 20, 22, 40, 42, 66, 58, 86, 76
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: Al3 H6 O14 S2 (Al3 H6 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 14, 25, 27, 49, 48, 71, 63
  • 1, 3, 3, 12, 18, 30, 33, 57, 51, 72
  • 2, 8, 9, 17, 22, 40, 42, 66, 58, 86
  • 3, 10, 14, 25, 27, 49, 48, 71, 63, 95
  • 4, 3, 12, 18, 30, 33, 57, 51, 72, 66
  • 6, 10, 20, 22, 40, 42, 66, 58, 86, 76
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: Al3 H6 O14 S2 (Al3 H6 O14 S2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 10, 14, 25, 27, 49, 48, 71, 63
  • 1, 3, 3, 12, 18, 30, 33, 57, 51, 72
  • 2, 8, 9, 17, 22, 40, 42, 66, 58, 86
  • 3, 10, 14, 25, 27, 49, 48, 71, 63, 95
  • 4, 3, 12, 18, 30, 33, 57, 51, 72, 66
  • 6, 10, 20, 22, 40, 42, 66, 58, 86, 76
span 1 {1 1 1}