Structure 7247567

7247566 << 7247567 >> 7247577
Original COD entry Download CIF Download DOT

Citation: Cicirello, Andrea; Swindle, Andrew; Wang, Jian (2023). Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure. CrystEngComm, 25, pp. 6354-6360.

Formula: As2 Cl3 La5 S9

Cell parameters:

  • a = 7.0472(3) Å
  • b = 7.1152(3) Å
  • c = 37.1137(13) Å
  • α = 90°
  • β = 90°
  • 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: As8 Cl12 La20 S36 (As2 Cl3 La5 S9)

Multiplicity: 1

Coordination sequences:

  • 2, 14, 22, 68, 70, 186, 132, 320, 258, 496
  • 3, 6, 30, 38, 113, 101, 238, 179, 416, 311
  • 3, 18, 26, 78, 74, 197, 162, 341, 254, 577
  • 4, 17, 25, 85, 79, 185, 152, 364, 254, 536
  • 4, 18, 24, 83, 80, 188, 150, 360, 260, 540
  • 4, 18, 26, 83, 75, 196, 154, 338, 258, 553
  • 4, 21, 30, 91, 79, 205, 158, 348, 264, 557
  • 4, 22, 28, 84, 80, 208, 164, 344, 264, 594
  • 7, 14, 52, 51, 137, 119, 275, 197, 457, 345
  • 8, 13, 49, 52, 138, 117, 275, 214, 460, 315
  • 8, 14, 50, 54, 148, 110, 272, 220, 436, 312
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