Structure 4130405

4130362 << 4130405 >> 4130443
Original COD entry Download CIF Download DOT

Citation: Zhang, Xian-Ming; Sarma, Debajit; Wu, Ya-Qin; Wang, Li; Ning, Zhi-Xue; Zhang, Fu-Qiang; Kanatzidis, Mercouri G. (2016). Open-Framework Oxysulfide Based on the Supertetrahedral [In4Sn16O10S34](12-) Cluster and Efficient Sequestration of Heavy Metals.. Journal of the American Chemical Society, 138, pp. 5543-5546.

Formula: In4 O10 S32 Sn16

Cell parameters:

  • a = 23.1392(10) Å
  • b = 23.1392(10) Å
  • c = 41.5631(19) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 3

Formula: In16 O40 S128 Sn64 (In2 O5 S16 Sn8)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 20, 12, 30, 20, 30, 6, 18
  • 2, 8, 6, 16, 12, 27, 11, 23, 15, 31
  • 2, 9, 8, 18, 8, 17, 10, 25, 14, 36
  • 3, 12, 7, 16, 11, 18, 6, 19, 15, 45
  • 3, 12, 9, 20, 8, 13, 6, 17, 13, 38
  • 4, 4, 13, 9, 25, 16, 30, 13, 24, 12
  • 4, 15, 12, 23, 6, 11, 8, 26, 18, 50
  • 6, 6, 16, 10, 20, 8, 18, 11, 31, 22
  • 6, 9, 24, 9, 13, 4, 10, 10, 33, 21
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: In16 O40 S128 Sn64 (In2 O5 S16 Sn8)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 20, 12, 30, 20, 30, 6, 18
  • 2, 8, 6, 16, 12, 27, 11, 23, 15, 31
  • 2, 9, 8, 18, 8, 17, 10, 25, 14, 36
  • 3, 12, 7, 16, 11, 18, 6, 19, 15, 45
  • 3, 12, 9, 20, 8, 13, 6, 17, 13, 38
  • 4, 4, 13, 9, 25, 16, 30, 13, 24, 12
  • 4, 15, 12, 23, 6, 11, 8, 26, 18, 50
  • 6, 6, 16, 10, 20, 8, 18, 11, 31, 22
  • 6, 9, 24, 9, 13, 4, 10, 10, 33, 21
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