Structure 2002303

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Citation: Krueger, J; Mueller-Buschbaum, Hk (1982). Ba Sr Ca Tm22 O36, eine metastabile Verbindung mit partiell hoher Unordnung. Zeitschrift fuer Anorganische und Allgemeine Chemie, 494, pp. 103-108.

Formula: Ba Ca O36 Sr Tm22

Chemical name: Barium strontium calcium thulium oxide (1/1/1/22/36)

Cell parameters:

  • a = 17.59999 Å
  • b = 17.59999 Å
  • c = 3.35 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 4

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

Dimensionality: 3

Formula: Ca6 O36 Tm24 (Ca O6 Tm4)

Multiplicity: 1

Coordination sequences:

  • 1, 15, 50, 87, 157, 253, 388, 509, 682, 875
  • 3, 28, 74, 131, 222, 337, 466, 622, 769, 1015
  • 3, 28, 79, 132, 206, 326, 445, 605, 750, 1017
  • 3, 30, 80, 125, 180, 318, 465, 626, 803, 1034
  • 5, 36, 78, 125, 207, 348, 479, 626, 811, 1032
  • 5, 36, 78, 125, 214, 334, 483, 623, 829, 1038
  • 5, 37, 77, 137, 225, 342, 479, 604, 783, 1040
  • 11, 34, 81, 146, 231, 340, 493, 598, 820, 1049
  • 13, 45, 84, 131, 233, 365, 504, 651, 863, 1060
  • 13, 47, 90, 146, 250, 373, 513, 668, 883, 1074
  • 16, 50, 87, 157, 253, 388, 509, 682, 875, 1104
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba4 Sr4 (Ba Sr)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba4 Sr4 (Ba Sr)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: Ba2 Ca2 Sr2 (Ba Ca Sr)

Multiplicity: 1

span 1 {1 1 1}