Structure 1008050

1008049 << 1008050 >> 1008051
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 = 5.6235(3) Å
  • b = 7.1984(4) Å
  • c = 12.4018(5) Å
  • α = 95.056(2)°
  • β = 95.550(5)°
  • γ = 109.676(5)°

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, 40, 86, 149, 197, 284, 376, 463, 591
  • 3, 21, 41, 89, 136, 199, 291, 365, 472, 594
  • 3, 22, 43, 81, 147, 199, 282, 374, 472, 585
  • 4, 20, 38, 98, 132, 198, 293, 361, 470, 585
  • 4, 21, 38, 96, 135, 196, 291, 360, 468, 580
  • 4, 22, 39, 97, 132, 202, 298, 363, 475, 592
  • 9, 21, 54, 103, 145, 215, 302, 379, 489, 610
  • 9, 22, 55, 90, 148, 223, 283, 393, 487, 593
  • 9, 22, 56, 92, 144, 225, 280, 393, 491, 598
  • 10, 22, 53, 104, 142, 220, 302, 378, 487, 612
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