Structure 1533581

1533580 << 1533581 >> 1533582
Original COD entry Download CIF Download DOT

Citation: Guillot-Deudon, C.; Lafond, A.; Meignen, V.; Cario, L.; Meerschaut, A. (2004). Crystal structure and electrical properties of the mixed valent titanium oxysulfide Sm2 Ti2 S2 O4.5. Journal of Solid State Chemistry, 1777, pp. 2464-2469.

Formula: O4.5 S2 Sm2 Ti2

Chemical name: Sm2 Ti2 S2 O4.5

Cell parameters:

  • a = 17.9987 Å
  • b = 3.71607 Å
  • c = 12.6172 Å
  • α = 90°
  • β = 133.645°
  • 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: O20 S8 Sm8 Ti8 (O5 S2 Sm2 Ti2)

Multiplicity: 1

Coordination sequences:

  • 4, 27, 99, 179, 308, 466, 654, 850, 1105, 1375
  • 4, 32, 87, 182, 295, 471, 620, 830, 1116, 1331
  • 4, 36, 77, 155, 298, 439, 607, 802, 1064, 1286
  • 4, 36, 93, 196, 292, 447, 641, 852, 1079, 1356
  • 4, 37, 106, 193, 315, 478, 676, 854, 1131, 1416
  • 5, 42, 100, 196, 354, 477, 698, 885, 1144, 1391
  • 6, 49, 112, 216, 336, 526, 684, 916, 1185, 1437
  • 10, 47, 130, 225, 349, 524, 704, 916, 1204, 1450
  • 11, 45, 116, 219, 356, 516, 723, 906, 1169, 1463
  • 16, 54, 129, 232, 352, 507, 714, 946, 1174, 1472
  • 18, 53, 113, 219, 373, 521, 690, 940, 1173, 1457
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