Structure 9004141

9004140 << 9004141 >> 9004142
Original COD entry Download CIF Download DOT

Citation: Meagher, E. P.; Lager, G. A. (1979). Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 25 degrees C. The Canadian Mineralogist, 17, pp. 77-85.

Formula: O2 Ti

Cell parameters:

  • a = 4.593 Å
  • b = 4.593 Å
  • c = 2.959 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: O4 Ti2 (O2 Ti)

Multiplicity: 1

Coordination sequences:

  • 3, 18, 33, 78, 97, 180, 193, 318, 321, 500
  • 8, 18, 48, 66, 128, 146, 248, 258, 408, 402
span 1 {1 1 1}