Structure 2310593

2310592 << 2310593 >> 2310594
Original COD entry Download CIF Download DOT

Citation: Harrison, F.W. (1956). The crystal structure of barium dititanate, Ba O (Ti O2)2. Acta Crystallographica (1,1948-23,1967), 9, pp. 495-500.

Formula: Ba O5 Ti2

Chemical name: Ba O (Ti O2)2

Cell parameters:

  • a = 9.41 Å
  • b = 3.93 Å
  • c = 16.892 Å
  • α = 90°
  • β = 103.03°
  • 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 5

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

Dimensionality: 3

Formula: O26 Ti12 (O13 Ti6)

Multiplicity: 1

Coordination sequences:

  • 1, 7, 18, 38, 40, 90, 114, 199, 218, 281
  • 2, 10, 19, 58, 68, 127, 139, 209, 259, 337
  • 2, 10, 22, 70, 80, 128, 148, 224, 294, 344
  • 2, 12, 25, 42, 63, 121, 133, 208, 245, 333
  • 2, 12, 28, 64, 61, 126, 167, 241, 263, 336
  • 3, 15, 29, 47, 63, 120, 154, 229, 276, 333
  • 3, 17, 35, 39, 74, 115, 171, 208, 286, 341
  • 6, 12, 41, 51, 101, 114, 176, 221, 287, 354
  • 8, 18, 38, 40, 90, 114, 199, 218, 281, 353
  • 10, 25, 28, 53, 86, 138, 167, 230, 297, 358
span 1 {1 1 1}

CIF datablock 1, entity 2 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba O (Ba O)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba O (Ba O)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 3, entity 4 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba O (Ba O)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 4, entity 5 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Ba O (Ba O)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}