Structure 1526590

1526589 << 1526590 >> 1526591
Original COD entry Download CIF Download DOT

Citation: Keklikoglou, P.; Stergiou, A.C.; Kalogirou, O. (2000). Crystallographic study of hydrated polycrystalline M-(beta",beta) - ferrites (M = K(+), Mg(2+), Ca(2+)). Solid State Ionics, 136, pp. 441-446.

Formula: Ca0.8 Cd0.88 Fe10.17 H3 O18.35

Chemical name: Ca0.80 Cd0.88 Fe10.17 O16.85 (H2 O)1.50

Cell parameters:

  • a = 5.964 Å
  • b = 5.964 Å
  • c = 35.655 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2-3D

Combined 3D structure and graph

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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: Cd6 Fe33 O51 (Cd2 Fe11 O17)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 12, 54, 118, 194, 306, 432, 546, 600
  • 3, 17, 38, 80, 128, 215, 288, 384, 484, 615
  • 3, 18, 49, 84, 138, 196, 276, 349, 470, 579
  • 4, 7, 30, 65, 127, 212, 313, 429, 519, 645
  • 5, 15, 60, 97, 145, 205, 273, 360, 508, 651
  • 5, 23, 56, 106, 158, 216, 281, 381, 506, 637
  • 5, 24, 60, 111, 154, 220, 277, 397, 490, 675
  • 6, 18, 50, 96, 162, 192, 282, 336, 494, 610
  • 8, 33, 81, 130, 178, 232, 306, 399, 550, 717
  • 10, 31, 65, 110, 170, 236, 317, 416, 523, 668
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CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: Ca2 O3 (Ca2 O3)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 8, 8, 14, 10, 18, 14, 22
  • 3, 3, 6, 6, 12, 9, 15, 12, 21, 15
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CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Ca2 O3 (Ca2 O3)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 8, 8, 14, 10, 18, 14, 22
  • 3, 3, 6, 6, 12, 9, 15, 12, 21, 15
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CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Ca2 O3 (Ca2 O3)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 4, 8, 8, 14, 10, 18, 14, 22
  • 3, 3, 6, 6, 12, 9, 15, 12, 21, 15
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