Structure 1511393

1511392 << 1511393 >> 1511394
Original COD entry Download CIF Download DOT

Citation: Huppertz, H.; Haberer, A. (2009). High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti5 B12 O26. Journal of Solid State Chemistry, 182, pp. 484-490.

Formula: B12 O26 Ti5

Chemical name: Ti5 B12 O26

Cell parameters:

  • a = 11.2108 Å
  • b = 11.2108 Å
  • c = 22.115 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: B96 O208 Ti40 (B12 O26 Ti5)

Multiplicity: 1

Coordination sequences:

  • 3, 11, 18, 50, 54, 114, 116, 211, 233, 318
  • 3, 11, 19, 50, 56, 116, 116, 213, 228, 324
  • 3, 12, 20, 54, 66, 120, 139, 211, 236, 336
  • 3, 12, 20, 54, 66, 121, 135, 209, 240, 345
  • 3, 12, 21, 48, 63, 116, 136, 205, 238, 327
  • 3, 12, 21, 49, 52, 123, 132, 214, 222, 326
  • 3, 12, 21, 54, 66, 122, 135, 213, 236, 343
  • 4, 8, 30, 41, 87, 94, 158, 190, 270, 302
  • 4, 8, 30, 41, 89, 94, 157, 188, 278, 303
  • 4, 8, 30, 42, 87, 90, 161, 184, 278, 300
  • 6, 12, 32, 36, 76, 72, 180, 180, 278, 294
  • 7, 14, 33, 40, 84, 114, 177, 184, 279, 318
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