Structure 7129064

7128977 << 7129064 >> 7129067
Original COD entry Download CIF Download DOT

Citation: Almoussawi, Batoul; Arevalo-Lopez, Angel M.; Simon, Pardis; Kabbour, Houria (2021). A High Dimensional Oxysulfide Built from Large Iron-based Clusters with Partial Charge-Ordering. Chemical Communications, , pp. -.

Formula: Ba10 Fe7.755 O12 S18 Si3 Zn5.245

Cell parameters:

  • a = 13.33800(10) Å
  • b = 13.33800(10) Å
  • c = 13.33800(10) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

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 2

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

Dimensionality: 3

Formula: Fe13 O12 S18 Si3 Zn12 (Fe13 O12 S18 Si3 Zn12)

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: Fe13 O12 S18 Si3 Zn12 (Fe13 O12 S18 Si3 Zn12)

Multiplicity: 1

span 1 {1 1 1}