Structure 7126123

7126107 << 7126123 >> 7126128
Original COD entry Download CIF Download DOT

Citation: Kabbour, Houria; Sayede, Adlane; Saitzek, S\'ebastien; Lef\`evre, Gauthier; Cario, Laurent; Trentesaux, Martine; Roussel, Pascal (2020). Structure of the water-splitting photocatalyst oxysulfide \a-LaOInS2 and ab initio prediction of new polymorphs.. Chemical communications (Cambridge, England), 56, pp. 1645-1648.

Formula: In3 La3 O3 S6

Cell parameters:

  • a = 3.9850(2) Å
  • b = 20.5460(13) Å
  • c = 14.8477(10) 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: In12 La12 O12 S24 (In La O S2)

Multiplicity: 1

Coordination sequences:

  • 3, 12, 14, 46, 76, 180, 212, 360, 426, 589
  • 3, 12, 19, 80, 123, 187, 256, 391, 533, 693
  • 3, 16, 33, 83, 116, 225, 295, 423, 554, 720
  • 3, 22, 56, 101, 150, 263, 351, 474, 612, 788
  • 4, 13, 64, 95, 152, 229, 341, 489, 588, 722
  • 4, 22, 43, 99, 150, 239, 341, 466, 580, 704
  • 4, 25, 48, 79, 139, 229, 319, 420, 523, 679
  • 4, 26, 48, 85, 151, 254, 324, 424, 586, 692
  • 5, 21, 44, 120, 158, 219, 339, 508, 611, 752
  • 5, 34, 62, 104, 173, 281, 392, 471, 600, 802
  • 6, 8, 27, 49, 134, 165, 278, 357, 534, 675
  • 7, 21, 64, 97, 165, 239, 383, 478, 588, 731
  • 11, 31, 62, 108, 197, 279, 350, 494, 673, 765
  • 14, 36, 63, 100, 190, 273, 364, 463, 617, 745
  • 14, 37, 63, 120, 190, 292, 389, 496, 601, 819
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