Structure 4126648

4126641 << 4126648 >> 4126697
Original COD entry Download CIF Download DOT

Citation: Gibson, Quinn D.; Dyer, Matthew S.; Whitehead, George F. S.; Alaria, Jonathan; Pitcher, Michael J.; Edwards, Holly J.; Claridge, John B.; Zanella, Marco; Dawson, Karl; Manning, Troy D.; Dhanak, Vin R.; Rosseinsky, Matthew J. (2017). Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion.. Journal of the American Chemical Society, , pp. -.

Formula: Bi8 Cl0.64 Cu3.46 O8 Se5.36

Cell parameters:

  • a = 3.89790(10) Å
  • b = 3.89790(10) Å
  • c = 29.8291(13) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 2D

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 6

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

Dimensionality: 2

Formula: Bi2 O2 (Bi O)

Multiplicity: 1

RCSR Symbol: sql

Coordination sequences:

  • 4, 8, 12, 16, 20, 24, 28, 32, 36, 40
span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: Bi2 O2 (Bi O)

Multiplicity: 1

RCSR Symbol: sql

Coordination sequences:

  • 4, 8, 12, 16, 20, 24, 28, 32, 36, 40
span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: Bi2 O2 (Bi O)

Multiplicity: 1

RCSR Symbol: sql

Coordination sequences:

  • 4, 8, 12, 16, 20, 24, 28, 32, 36, 40
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: Bi2 O2 (Bi O)

Multiplicity: 1

RCSR Symbol: sql

Coordination sequences:

  • 4, 8, 12, 16, 20, 24, 28, 32, 36, 40
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: Cu2 Se2 (Cu Se)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: Cu2 Se2 (Cu Se)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
span 1 {1 1 1}