Structure 4338746

4338741 << 4338746 >> 4338753
Original COD entry Download CIF Download DOT

Citation: Clemens, Oliver; Gr\"oting, Melanie; Witte, Ralf; Perez-Mato, J Manuel; Loho, Christoph; Berry, Frank J.; Kruk, Robert; Knight, Kevin S.; Wright, Adrian J.; Hahn, Horst; Slater, Peter R. (2014). Crystallographic and Magnetic Structure of the Perovskite-Type Compound BaFeO2.5: Unrivaled Complexity in Oxygen Vacancy Ordering.. Inorganic chemistry, 53, pp. 5911-5921.

Formula: Ba Fe O2.5

Cell parameters:

  • a = 6.97527(14) Å
  • b = 11.7281(2) Å
  • c = 23.4507(4) Å
  • α = 90°
  • β = 98.8130(8)°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Fe28 O70 (Fe2 O5)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 10, 8, 30, 20, 66, 32, 87
  • 1, 3, 3, 11, 8, 28, 17, 53, 28, 82
  • 1, 3, 3, 12, 9, 32, 18, 51, 24, 64
  • 2, 6, 4, 14, 12, 43, 25, 74, 35, 93
  • 2, 6, 5, 19, 13, 46, 27, 78, 36, 98
  • 2, 6, 5, 19, 14, 47, 24, 63, 31, 90
  • 2, 7, 6, 20, 13, 44, 25, 74, 36, 99
  • 2, 7, 6, 21, 13, 39, 22, 67, 35, 103
  • 2, 7, 6, 22, 13, 39, 21, 58, 31, 92
  • 2, 7, 6, 23, 14, 41, 21, 54, 27, 82
  • 2, 7, 7, 24, 14, 44, 24, 71, 36, 104
  • 2, 8, 7, 25, 15, 42, 20, 54, 29, 90
  • 2, 8, 8, 27, 14, 40, 21, 60, 32, 97
  • 2, 8, 8, 28, 15, 43, 22, 61, 34, 102
  • 2, 9, 9, 29, 15, 41, 20, 60, 34, 105
  • 2, 9, 9, 30, 15, 40, 19, 52, 30, 93
  • 2, 9, 9, 31, 15, 38, 19, 52, 30, 96
  • 2, 10, 10, 32, 16, 40, 18, 54, 32, 104
  • 4, 3, 10, 8, 30, 20, 66, 32, 87, 40
  • 4, 3, 11, 8, 28, 17, 53, 28, 82, 40
  • 4, 3, 12, 9, 32, 18, 51, 24, 64, 36
  • 4, 4, 15, 10, 35, 20, 60, 31, 87, 43
  • 5, 5, 18, 11, 34, 18, 55, 29, 87, 46
  • 5, 5, 20, 11, 33, 17, 44, 24, 70, 38
  • 6, 6, 23, 13, 36, 17, 45, 25, 79, 45
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