Structure 1000470

1000469 << 1000470 >> 1000471
Original COD entry Download CIF Download DOT

Citation: Mercier, N; Leblanc, M (1993). Crystal growth and structures of rare earth fluorocarbonates: I. Structures of Ba Sm (C O3)2 F and Ba3 La2 (C O3)5 F2: revision of the corresponding huanghoite and cebaite type structures. European Journal of Solid State Inorganic Chemistry, 30, pp. 195-205.

Formula: C Ba F O6 Sm

Chemical name: Barium samarium bis(carbonate) fluoride

Cell parameters:

  • a = 5.016(1) Å
  • b = 5.016(1) Å
  • c = 37.94398(600) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 6

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

Dimensionality: 2

Formula: C2 F O6 Sm (C2 F O6 Sm)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 12, 48, 30, 90, 48, 132, 66, 174
  • 2, 11, 11, 46, 30, 90, 48, 132, 66, 174
  • 3, 3, 24, 21, 69, 39, 111, 57, 153, 75
  • 3, 18, 17, 62, 36, 104, 54, 146, 72, 188
  • 10, 12, 48, 30, 90, 48, 132, 66, 174, 84
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CIF datablock 1, entity 2 of 6

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

Dimensionality: 2

Formula: C2 F O6 Sm (C2 F O6 Sm)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 12, 48, 30, 90, 48, 132, 66, 174
  • 2, 11, 11, 46, 30, 90, 48, 132, 66, 174
  • 3, 3, 24, 21, 69, 39, 111, 57, 153, 75
  • 3, 18, 17, 62, 36, 104, 54, 146, 72, 188
  • 10, 12, 48, 30, 90, 48, 132, 66, 174, 84
span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

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

Dimensionality: 2

Formula: C2 F O6 Sm (C2 F O6 Sm)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 12, 48, 30, 90, 48, 132, 66, 174
  • 2, 11, 11, 46, 30, 90, 48, 132, 66, 174
  • 3, 3, 24, 21, 69, 39, 111, 57, 153, 75
  • 3, 18, 17, 62, 36, 104, 54, 146, 72, 188
  • 10, 12, 48, 30, 90, 48, 132, 66, 174, 84
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

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

Dimensionality: 2

Formula: C2 F O6 Sm (C2 F O6 Sm)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 12, 48, 30, 90, 48, 132, 66, 174
  • 2, 11, 11, 46, 30, 90, 48, 132, 66, 174
  • 3, 3, 24, 21, 69, 39, 111, 57, 153, 75
  • 3, 18, 17, 62, 36, 104, 54, 146, 72, 188
  • 10, 12, 48, 30, 90, 48, 132, 66, 174, 84
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

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

Dimensionality: 2

Formula: C2 F O6 Sm (C2 F O6 Sm)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 12, 48, 30, 90, 48, 132, 66, 174
  • 2, 11, 11, 46, 30, 90, 48, 132, 66, 174
  • 3, 3, 24, 21, 69, 39, 111, 57, 153, 75
  • 3, 18, 17, 62, 36, 104, 54, 146, 72, 188
  • 10, 12, 48, 30, 90, 48, 132, 66, 174, 84
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

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

Dimensionality: 2

Formula: C2 F O6 Sm (C2 F O6 Sm)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 12, 48, 30, 90, 48, 132, 66, 174
  • 2, 11, 11, 46, 30, 90, 48, 132, 66, 174
  • 3, 3, 24, 21, 69, 39, 111, 57, 153, 75
  • 3, 18, 17, 62, 36, 104, 54, 146, 72, 188
  • 10, 12, 48, 30, 90, 48, 132, 66, 174, 84
span 1 {1 1 1}