Structure 4002180

4002179 << 4002180 >> 4002181
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: Ag0.31 Ba0.5 S0.79 Se0.54 Sn0.33

Cell parameters:

  • a = 14.9596(2) Å
  • b = 14.9596(2) Å
  • c = 14.9596(2) 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 Se64 Sn16 (Ag15 S16 Se16 Sn4)

Multiplicity: 1

Coordination sequences:

  • 2, 9, 18, 27, 60, 96, 168, 198, 345, 372
  • 5, 15, 16, 46, 58, 134, 168, 234, 337, 454
  • 5, 24, 27, 60, 96, 168, 198, 345, 372, 570
  • 6, 14, 16, 46, 58, 134, 168, 234, 337, 454
  • 8, 12, 24, 24, 90, 124, 166, 268, 351, 415
  • 9, 13, 36, 50, 104, 144, 216, 279, 421, 482
  • 10, 10, 28, 48, 72, 152, 176, 244, 326, 526
  • 12, 8, 28, 48, 72, 152, 176, 244, 326, 526
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