Structure 4001705

4001704 << 4001705 >> 4001707
Original COD entry Download CIF Download DOT

Citation: Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Jin, Hosub; Morris, Collin D.; Zhao, Lidong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G. (2012). CsHgInS3: a New Quaternary Semiconductor for \g-ray Detection. Chemistry of Materials, 24, pp. 4434-.

Formula: Cs2 Hg2 In2 S6

Chemical name: ?

Cell parameters:

  • a = 11.2503(6) Å
  • b = 11.2531(5) Å
  • c = 22.2884(14) Å
  • α = 90.00°
  • β = 97.260(5)°
  • γ = 90.00°

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 2

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

Dimensionality: 2

Formula: Hg8 In8 S24 (Hg In S3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 8, 15, 18, 34, 31, 52, 33, 56
  • 3, 9, 10, 20, 21, 38, 27, 46, 37, 62
  • 3, 9, 12, 23, 19, 34, 29, 50, 35, 58
  • 4, 6, 12, 13, 26, 28, 48, 28, 48, 44
  • 4, 6, 12, 16, 30, 24, 42, 32, 54, 40
  • 4, 8, 18, 16, 30, 24, 42, 32, 54, 40
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Hg8 In8 S24 (Hg In S3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 8, 15, 18, 34, 31, 52, 33, 56
  • 3, 9, 10, 20, 21, 38, 27, 46, 37, 62
  • 3, 9, 12, 23, 19, 34, 29, 50, 35, 58
  • 4, 6, 12, 13, 26, 28, 48, 28, 48, 44
  • 4, 6, 12, 16, 30, 24, 42, 32, 54, 40
  • 4, 8, 18, 16, 30, 24, 42, 32, 54, 40
span 1 {1 1 1}