Structure 4102045

4102044 << 4102045 >> 4102046
Original COD entry Download CIF Download DOT

Citation: Tarun K. Bera; Joon I. Jang; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis (2010). Soluble Semiconductors AAsSe2 (A = Li, Na) with a Direct-Band-Gap and Strong Second Harmonic Generation: A Combined Experimental and Theoretical Study. Journal of the American Chemical Society, 132, pp. 3484-3495.

Formula: As0.5 Li0.5 Se

Chemical name: ?

Cell parameters:

  • a = 5.557(3) Å
  • b = 5.557(3) Å
  • c = 5.557(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: As4 Li4 Se4 (As Li Se)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 18, 56, 66, 168, 146, 344, 258, 584
  • 6, 24, 38, 104, 102, 248, 198, 456, 326, 728
  • 7, 18, 56, 66, 168, 146, 344, 258, 584, 402
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