Structure 1008048

1008047 << 1008048 >> 1008049
Original COD entry Download CIF Download DOT

Citation: Hodeau, J L; Marezio, M (1979). Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~. Journal of Solid State Chemistry, 29, pp. 47-62.

Formula: O7 Ti4

Chemical name: Heptaoxotetratitanate

Cell parameters:

  • a = 5.5942(6) Å
  • b = 7.1216(8) Å
  • c = 12.460(1) Å
  • α = 95.05(1)°
  • β = 95.19(1)°
  • γ = 108.76(1)°

List type: noninterleaving

List: 3D

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Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: O28 Ti16 (O7 Ti4)

Multiplicity: 1

Coordination sequences:

  • 3, 21, 39, 84, 135, 201, 278, 355, 482, 569
  • 3, 21, 41, 90, 137, 198, 292, 364, 474, 594
  • 3, 22, 41, 85, 150, 196, 286, 376, 466, 590
  • 3, 22, 43, 81, 147, 200, 283, 373, 474, 585
  • 4, 21, 38, 96, 135, 196, 291, 360, 469, 581
  • 4, 21, 39, 97, 133, 197, 295, 363, 472, 584
  • 4, 22, 39, 98, 133, 202, 300, 362, 478, 591
  • 9, 22, 56, 91, 147, 224, 282, 395, 487, 596
  • 9, 22, 56, 92, 145, 226, 279, 394, 490, 601
  • 10, 22, 53, 104, 142, 220, 303, 380, 487, 612
  • 10, 22, 53, 104, 144, 217, 302, 382, 488, 609
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