Structure 2020160

2020154 << 2020160 >> 2020163
Original COD entry Download CIF Download DOT

Citation: Fan, H.-F.; Yao, J.-X.; Main, P.; Woolfson, M.M. (1983). On the application of phase relationships to complex structures. XXIII. Automatic determination of crystal structures having pseudo-translational symmetry by a modified MULTAN procedure. Acta Crystallographica C (39,1983-), 39, pp. 566-569.

Formula: C2 Ba Ce F O6

Chemical name: Ba Ce F (C O3)2

Cell parameters:

  • a = 5.07 Å
  • b = 5.07 Å
  • c = 38.40799 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

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 9

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

Dimensionality: 2

Formula: C2 Ba O6 (C2 Ba O6)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 7, 18, 11, 27, 16, 36, 20, 45
  • 3, 3, 15, 12, 21, 9, 33, 24, 39, 15
  • 6, 6, 12, 6, 24, 18, 30, 12, 42, 30
span 1 {1 1 1}

CIF datablock 1, entity 2 of 9

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

Dimensionality: 2

Formula: C2 Ba O6 (C2 Ba O6)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 7, 18, 11, 27, 16, 36, 20, 45
  • 3, 3, 15, 12, 21, 9, 33, 24, 39, 15
  • 6, 6, 12, 6, 24, 18, 30, 12, 42, 30
span 1 {1 1 1}

CIF datablock 2, entity 3 of 9

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

Dimensionality: 2

Formula: C2 Ba O6 (C2 Ba O6)

Multiplicity: 1

Coordination sequences:

  • 2, 7, 7, 18, 11, 27, 16, 36, 20, 45
  • 3, 3, 15, 12, 21, 9, 33, 24, 39, 15
  • 6, 6, 12, 6, 24, 18, 30, 12, 42, 30
span 1 {1 1 1}

CIF datablock 3, entity 4 of 9

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

Dimensionality: 2

Formula: C Ce F O3 (C Ce F O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 18, 9, 15, 12, 33
  • 2, 5, 4, 10, 8, 18, 10, 23, 14, 29
  • 3, 3, 9, 6, 12, 9, 24, 12, 21, 15
  • 4, 3, 6, 6, 18, 9, 15, 12, 33, 15
span 1 {1 1 1}

CIF datablock 4, entity 5 of 9

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

Dimensionality: 2

Formula: C Ce F O3 (C Ce F O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 18, 9, 15, 12, 33
  • 2, 5, 4, 10, 8, 18, 10, 23, 14, 29
  • 3, 3, 9, 6, 12, 9, 24, 12, 21, 15
  • 4, 3, 6, 6, 18, 9, 15, 12, 33, 15
span 1 {1 1 1}

CIF datablock 5, entity 6 of 9

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

Dimensionality: 2

Formula: C Ce F O3 (C Ce F O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 18, 9, 15, 12, 33
  • 2, 5, 4, 10, 8, 18, 10, 23, 14, 29
  • 3, 3, 9, 6, 12, 9, 24, 12, 21, 15
  • 4, 3, 6, 6, 18, 9, 15, 12, 33, 15
span 1 {1 1 1}

CIF datablock 6, entity 7 of 9

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

Dimensionality: 2

Formula: C Ce F O3 (C Ce F O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 18, 9, 15, 12, 33
  • 2, 5, 4, 10, 8, 18, 10, 23, 14, 29
  • 3, 3, 9, 6, 12, 9, 24, 12, 21, 15
  • 4, 3, 6, 6, 18, 9, 15, 12, 33, 15
span 1 {1 1 1}

CIF datablock 7, entity 8 of 9

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

Dimensionality: 2

Formula: C Ce F O3 (C Ce F O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 18, 9, 15, 12, 33
  • 2, 5, 4, 10, 8, 18, 10, 23, 14, 29
  • 3, 3, 9, 6, 12, 9, 24, 12, 21, 15
  • 4, 3, 6, 6, 18, 9, 15, 12, 33, 15
span 1 {1 1 1}

CIF datablock 8, entity 9 of 9

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

Dimensionality: 2

Formula: C Ce F O3 (C Ce F O3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 6, 6, 18, 9, 15, 12, 33
  • 2, 5, 4, 10, 8, 18, 10, 23, 14, 29
  • 3, 3, 9, 6, 12, 9, 24, 12, 21, 15
  • 4, 3, 6, 6, 18, 9, 15, 12, 33, 15
span 1 {1 1 1}