Structure 4003960

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Citation: Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mika\"el; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. (2021). Shedding Light on the Stability and Structure--Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites. Chemistry of Materials, , pp. -.

Formula: C13 H38 Br7 N3 Pb2

Cell parameters:

  • a = 46.069(5) Å
  • b = 8.2722(5) Å
  • c = 8.3454(12) Å
  • α = 90°
  • β = 90.852(17)°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 8, entity 9 of 4

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

Dimensionality: 2

Formula: Br8 Pb2 (Br4 Pb)

Multiplicity: 1

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CIF datablock 9, entity 10 of 4

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

Dimensionality: 2

Formula: Br8 Pb2 (Br4 Pb)

Multiplicity: 1

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CIF datablock 10, entity 11 of 4

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

Dimensionality: 2

Formula: Br6 Pb2 (Br3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
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CIF datablock 11, entity 12 of 4

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

Dimensionality: 2

Formula: Br6 Pb2 (Br3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
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