Structure 3000452

3000435 << 3000452 >> 3000453
Original COD entry Download CIF Download DOT

Citation: Gianfranco Ulian; Giovanni Valdr\`e (2023). Facile band gap tuning in graphene brucite heterojunctions. Scientific Reports, 13, pp. 23090-.

Formula: C2 H2 Mg O2

Cell parameters:

  • a = 2.711700 Å
  • b = 2.711700 Å
  • c = 28.776899 Å
  • α = 90.000000°
  • β = 90.000000°
  • γ = 120.000000°

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 2

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

Dimensionality: 2

Formula: H2 Mg O2 (H2 Mg O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 12, 21, 24, 39, 36, 57, 48, 75
  • 4, 12, 21, 24, 39, 36, 57, 48, 75, 60
  • 6, 12, 18, 30, 30, 48, 42, 66, 54, 84
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C2 (C)

Multiplicity: 1

RCSR Symbol: hcb

Coordination sequences:

  • 3, 6, 9, 12, 15, 18, 21, 24, 27, 30
span 1 {1 1 1}