Structure 4002178

4002177 << 4002178 >> 4002179
Original COD entry Download CIF Download DOT

Citation: Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang (2015). Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4\dSn4.33−\dS16--xSex. Chemistry of Materials, 27, pp. 1316-.

Formula: Ag0.33 Ba0.5 S1.33 Sn0.33

Cell parameters:

  • a = 14.7422(7) Å
  • b = 14.7422(7) Å
  • c = 14.7422(7) 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: Ag60 S64 Sn16 (Ag15 S16 Sn4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 9, 15, 9, 27, 54, 90, 41, 110
  • 4, 8, 9, 19, 24, 48, 54, 104, 89, 150
  • 4, 9, 15, 9, 27, 54, 90, 41, 110, 168
  • 5, 5, 8, 18, 32, 32, 48, 104, 118, 94
  • 6, 4, 8, 18, 32, 32, 48, 104, 118, 94
  • 8, 4, 12, 24, 40, 24, 72, 112, 128, 64
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