Structure 1512529

1512528 << 1512529 >> 1512531
Original COD entry Download CIF Download DOT

Citation: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. (2014). Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals. Critical Reviews in Solid State and Materials Sciences, 39, pp. 1-.

Formula: P

Cell parameters:

  • a = 3.30466 Å
  • b = 11.31693 Å
  • c = 4.57327 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 2

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

Dimensionality: 2

Formula: P4 (P)

Multiplicity: 1

RCSR Symbol: hcb

Coordination sequences:

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

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: P4 (P)

Multiplicity: 1

RCSR Symbol: hcb

Coordination sequences:

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