Structure 1568148

1568147 << 1568148 >> 1568149
Original COD entry Download CIF Download DOT

Citation: Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G. (2022). Discovery of chalcogenides structures and compositions using mixed fluxes. Nature, 612, pp. 72-77.

Formula: Ba9 Cu13.46 Na4 O8 S12

Cell parameters:

  • a = 20.247(3) Å
  • b = 20.247(3) Å
  • c = 3.9958(8) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Cu28 S24 (Cu7 S6)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 26, 48, 78, 104, 130, 156, 200, 304
  • 4, 16, 30, 46, 70, 104, 129, 160, 227, 309
  • 6, 22, 36, 54, 70, 94, 139, 206, 282, 331
  • 8, 16, 28, 53, 84, 109, 132, 156, 204, 320
  • 8, 18, 34, 51, 76, 109, 134, 176, 256, 323
  • 8, 20, 36, 54, 70, 96, 140, 206, 281, 329
  • 10, 22, 42, 58, 74, 90, 146, 246, 298, 334
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