Structure 7123325

7123324 << 7123325 >> 7123329
Original COD entry Download CIF Download DOT

Citation: Smialkowski, Mathias; Siegmund, Daniel; Pellumbi, Kevinjeorjios; Hensgen, Lars; Antoni, Hendrik; Muhler, Martin; Apfel, Ulf-Peter (2019). Seleno-Analogous of Pentlandite (Fe4.5Ni4.5S8-ySey, Y = 1-6): Tuning bulk Fe/Ni Sulphoselenides for Hydrogen Evolution. Chemical Communications, 55, pp. 8792-8795.

Formula: Fe20.12 Ni15.88 S17.14 Se14.86

Cell parameters:

  • a = 10.3275(2) Å
  • b = 10.3275(2) Å
  • c = 10.3275(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: Fe36 S32 (Fe9 S8)

Multiplicity: 1

Coordination sequences:

  • 4, 24, 34, 52, 124, 202, 232, 250, 420, 556
  • 5, 17, 33, 85, 106, 161, 241, 293, 393, 442
  • 6, 24, 56, 50, 126, 222, 200, 260, 438, 534
  • 7, 15, 40, 83, 123, 153, 239, 346, 363, 442
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: Ni36 Se32 (Ni9 Se8)

Multiplicity: 1

Coordination sequences:

  • 4, 24, 34, 52, 124, 202, 232, 250, 420, 556
  • 5, 17, 33, 85, 106, 161, 241, 293, 393, 442
  • 6, 24, 56, 50, 126, 222, 200, 260, 438, 534
  • 7, 15, 40, 83, 123, 153, 239, 346, 363, 442
span 1 {1 1 1}