Structure 4120322

4120293 << 4120322 >> 4120423
Original COD entry Download CIF Download DOT

Citation: James Fulmer; Oleg I. Lebedev; Vladimir Roddatis; Derrick C. Kaseman; Sabyasachi Sen; Juli-Anna Dolyniuk; Kathleen Lee; Andrei V. Olenev; Kirill Kovnir (2013). Clathrate Ba8Au16P30: The "Gold Standard" for Lattice Thermal Conductivity. Journal of the American Chemical Society, 135, pp. 12313-12323.

Formula: Au16 Ba8 P30

Chemical name: ?

Cell parameters:

  • a = 14.6362(1) Å
  • b = 10.4655(1) Å
  • c = 28.9836(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 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 1

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

Dimensionality: 3

Formula: Au64 P120 (Au8 P15)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 21, 40, 62, 90, 123, 167, 212, 260
  • 4, 11, 23, 41, 66, 94, 129, 174, 213, 272
  • 4, 11, 23, 42, 65, 92, 131, 174, 212, 271
  • 4, 11, 24, 42, 64, 95, 138, 171, 220, 266
  • 4, 12, 23, 41, 67, 93, 129, 174, 218, 275
  • 4, 12, 23, 41, 67, 94, 131, 173, 215, 270
  • 4, 12, 23, 41, 69, 99, 127, 172, 227, 271
  • 4, 12, 24, 41, 67, 93, 133, 174, 217, 276
  • 4, 12, 24, 41, 68, 99, 128, 172, 225, 274
  • 4, 12, 24, 41, 68, 100, 128, 173, 227, 275
  • 4, 12, 24, 42, 66, 92, 134, 175, 216, 276
  • 4, 12, 24, 42, 66, 93, 132, 176, 216, 276
  • 4, 12, 24, 42, 66, 95, 132, 176, 214, 272
  • 4, 12, 25, 41, 67, 99, 129, 174, 223, 269
  • 4, 12, 25, 41, 67, 100, 129, 174, 224, 277
  • 4, 12, 25, 41, 68, 97, 127, 177, 228, 274
  • 4, 12, 25, 42, 66, 98, 128, 175, 228, 274
  • 4, 12, 25, 42, 69, 99, 124, 174, 229, 273
  • 4, 12, 25, 42, 69, 99, 126, 173, 227, 277
  • 4, 12, 25, 42, 69, 99, 127, 173, 226, 270
  • 4, 12, 25, 42, 69, 99, 129, 172, 224, 274
  • 4, 12, 26, 43, 63, 97, 142, 171, 222, 270
  • 4, 12, 26, 44, 64, 98, 140, 168, 218, 272
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