Structure 7236344

7236342 << 7236344 >> 7236345
Original COD entry Download CIF Download DOT

Citation: Deng, Zeyu; Wei, Fengxia; Sun, Shijing; Kieslich, Gregor; Cheetham, Anthony K.; Bristowe, Paul D. (2016). Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach. Journal of Materials Chemistry A, 4, pp. 12025-.

Formula: C2 Bi Br6 N2 Tl

Chemical name: Methylammonium Thallium bismuth bromide double perovskite

Cell parameters:

  • a = 11.7616(5) Å
  • b = 11.7616(5) Å
  • c = 11.7616(5) 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: Bi4 Br24 Tl4 (Bi Br6 Tl)

Multiplicity: 1

Coordination sequences:

  • 2, 10, 10, 46, 26, 106, 50, 190, 82, 298
  • 6, 6, 30, 18, 78, 38, 150, 66, 246, 102
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