Structure 1559617

1559595 << 1559617 >> 1559618
Original COD entry Download CIF Download DOT

Citation: McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; Gonz\'alez, Gabriela B; Kanatzidis, Mercouri G. (2020). Mechanistic insight of KBiQ2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design.. Chemical science, 12, pp. 1378-1391.

Formula: Bi K S2

Cell parameters:

  • a = 4.128802(13) Å
  • b = 4.128802(13) Å
  • c = 22.09041(12) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 3

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

Dimensionality: 2

Formula: Bi S2 (Bi S2)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: Bi S2 (Bi S2)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: Bi S2 (Bi S2)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
span 1 {1 1 1}