Structure 9007646

9007644 << 9007646 >> 9007647
Original COD entry Download CIF Download DOT

Citation: Post, J. E.; Von Dreele, R. B.; Buseck, P. R. (1982). Symmetry and cation displacements in hollandites: structure refinements of hollandite, cryptomelane and priderite Note: Anisotropic displacement factors from ICSD. Acta Crystallographica, Section B, 38, pp. 1056-1065.

Formula: Ba0.1 Fe0.52 K0.66 Mg0.12 Na0.02 O8 Ti3.36

Cell parameters:

  • a = 10.139 Å
  • b = 10.139 Å
  • c = 2.9664 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: Fe8 Mg8 O16 Ti8 (Fe Mg O2 Ti)

Multiplicity: 1

Coordination sequences:

  • 8, 24, 56, 103, 186, 283, 364, 526, 620, 802
  • 9, 20, 54, 112, 155, 266, 363, 458, 656, 725
  • 9, 32, 66, 129, 207, 286, 433, 523, 658, 886
  • 14, 39, 81, 134, 207, 322, 402, 553, 693, 828
  • 16, 37, 81, 134, 207, 322, 402, 553, 693, 828
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 K2 Na (Ba2 K2 Na)

Multiplicity: 1

Coordination sequences:

  • 8, 10, 10, 10, 10, 10, 10, 10, 10, 10
  • 10, 10, 10, 10, 10, 10, 10, 10, 10, 10
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 K2 Na (Ba2 K2 Na)

Multiplicity: 1

Coordination sequences:

  • 8, 10, 10, 10, 10, 10, 10, 10, 10, 10
  • 10, 10, 10, 10, 10, 10, 10, 10, 10, 10
span 1 {1 1 1}