Structure 2022652

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Citation: Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A. (2022). Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite. Acta Crystallographica Section C, 78, pp. -.

Formula: Cd Ge2 Li4 S7

Chemical name: Tetralithium cadmium digermanium heptasulfide

Cell parameters:

  • a = 16.8354(10) Å
  • b = 6.7870(4) Å
  • c = 10.1499(6) Å
  • α = 90°
  • β = 93.710(3)°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Cd4 Ge8 S28 (Cd Ge2 S7)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 9, 7, 20, 12, 33, 21, 61
  • 2, 6, 4, 12, 10, 28, 14, 38, 28, 82
  • 2, 6, 5, 14, 8, 23, 16, 46, 31, 82
  • 4, 3, 9, 7, 20, 12, 33, 21, 61, 39
  • 4, 4, 12, 6, 16, 12, 36, 26, 72, 36
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