Structure 7710286

7710280 << 7710286 >> 7710299
Original COD entry Download CIF Download DOT

Citation: Almoussawi, Batoul; Duffort, Victor; Arevalo-Lopez, Angel M; Braun, Maxime; Djelal, Nora; Kabbour, Houria (2022). Preparation, characterization and DFT+U study of the polar Fe3+-based phase Ba5Fe2ZnIn4S15 containing S = 5/2 zigzag chains.. Dalton transactions (Cambridge, England : 2003), 51, pp. 9522-9530.

Formula: Ba5 Fe2 In4 S15 Zn

Cell parameters:

  • a = 23.4580(19) Å
  • b = 18.551(6) Å
  • c = 6.464(5) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Fe8 In16 S60 Zn4 (Fe2 In4 S15 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 5, 15, 13, 33, 27, 69
  • 1, 3, 3, 9, 7, 21, 20, 54, 37, 84
  • 2, 6, 4, 9, 7, 18, 17, 48, 33, 78
  • 2, 6, 4, 9, 9, 24, 18, 48, 33, 78
  • 2, 6, 4, 12, 10, 30, 30, 72, 38, 90
  • 2, 6, 5, 15, 14, 36, 26, 66, 45, 114
  • 2, 6, 6, 15, 11, 27, 22, 60, 38, 87
  • 2, 6, 7, 18, 14, 36, 24, 60, 43, 114
  • 3, 9, 7, 15, 11, 33, 29, 69, 33, 87
  • 4, 3, 6, 5, 15, 13, 33, 27, 69, 37
  • 4, 3, 9, 7, 21, 20, 54, 37, 84, 47
  • 4, 4, 12, 12, 30, 20, 54, 34, 90, 80
  • 4, 5, 12, 7, 18, 17, 48, 33, 78, 39
  • 4, 5, 12, 9, 24, 18, 48, 33, 78, 46
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