Structure 1530988

1530982 << 1530988 >> 1530989
Original COD entry Download CIF Download DOT

Citation: Weber, H.P.; Schultz, H. (1986). Ionic conduction in one dimension: A structural study of the hollandite K1.54 Mg0.77 Ti7.23 O16 over the range 133< T< 919 K. Journal of Chemical Physics, 85, pp. 475-484.

Formula: K1.59 Mg0.77 O16 Ti7.23

Chemical name: K1.59 (Mg.77 Ti7.23) O16

Cell parameters:

  • a = 10.138 Å
  • b = 10.138 Å
  • c = 2.9685 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 3

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

Dimensionality: 3

Formula: Mg8 O16 Ti8 (Mg O2 Ti)

Multiplicity: 1

Coordination sequences:

  • 6, 16, 40, 86, 128, 197, 297, 362, 510, 590
  • 6, 23, 53, 96, 165, 227, 334, 422, 517, 700
  • 7, 16, 42, 82, 140, 227, 287, 410, 498, 635
  • 11, 29, 61, 107, 161, 253, 322, 433, 551, 658
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: K7 (K)

Multiplicity: 1

Coordination sequences:

  • 14, 14, 14, 14, 14, 14, 14, 14, 14, 14
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: K7 (K)

Multiplicity: 1

Coordination sequences:

  • 14, 14, 14, 14, 14, 14, 14, 14, 14, 14
span 1 {1 1 1}