Structure 4003878

4003877 << 4003878 >> 4003879
Original COD entry Download CIF Download DOT

Citation: Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G. (2021). Sn4−\dB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains. Chemistry of Materials, , pp. -.

Formula: B12 Se15.8 Sn4

Cell parameters:

  • a = 13.5927(7) Å
  • b = 13.5927(7) Å
  • c = 9.8167(5) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 1-3D

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: (0;0;1)

Dimensionality: 1

Formula: Se98 (Se)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: B24 Se24 Sn8 (B3 Se3 Sn)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 16, 22, 26, 53, 72, 91, 100
  • 2, 8, 11, 16, 22, 27, 54, 72, 93, 102
  • 2, 8, 13, 21, 27, 40, 60, 79, 89, 105
  • 2, 8, 13, 21, 27, 41, 59, 73, 93, 109
  • 3, 11, 16, 31, 33, 45, 55, 86, 102, 126
  • 3, 11, 16, 31, 33, 45, 55, 87, 105, 130
  • 4, 4, 12, 20, 18, 24, 36, 80, 102, 104
  • 4, 6, 18, 28, 38, 42, 54, 83, 110, 120
  • 4, 8, 24, 28, 38, 40, 64, 80, 108, 132
  • 6, 11, 12, 14, 23, 51, 71, 69, 71, 106
  • 6, 11, 12, 14, 24, 52, 71, 71, 73, 111
  • 6, 11, 13, 16, 26, 56, 71, 72, 73, 114
  • 6, 11, 13, 16, 27, 57, 66, 74, 72, 112
  • 6, 12, 13, 17, 33, 47, 72, 73, 87, 106
  • 6, 12, 13, 17, 33, 47, 73, 70, 86, 110
span 1 {1 1 1}