Structure 1561665

1561664 << 1561665 >> 1561666
Original COD entry Download CIF Download DOT

Citation: Mao, Yuanlv; Fang, Yuqiang; Pan, Jie; Wang, Dong; Bu, Kejun; Che, Xiangli; Zhao, Wei; Huang, Fuqiang (2019). Synthesis, crystal structures and physical properties of A(H2O) MoS2 (A = K, Rb, Cs). Journal of Solid State Chemistry, 279, pp. 120937-.

Formula: H1.64 K0.38 Mo O0.82 S2

Cell parameters:

  • a = 5.6942(10) Å
  • b = 3.2433(6) Å
  • c = 9.3601(16) Å
  • α = 90°
  • β = 100.616(6)°
  • γ = 90°

List type: interleaving

List: 1-2D

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: Mo2 S4 (Mo S2)

Multiplicity: 1

Coordination sequences:

  • 3, 16, 21, 39, 48, 49, 75, 80, 77, 111
  • 3, 21, 32, 35, 57, 64, 63, 93, 96, 91
  • 10, 19, 29, 44, 49, 61, 78, 79, 93, 112
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: K2 (K)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: K2 (K)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}