Structure 2311744

2311743 << 2311744 >> 2311745
Original COD entry Download CIF Download DOT

Citation: Ende, Martin; Effenberger, Herta; Miletich, Ronald (2017). Evolution of the \a-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its \a-\b phase transition.. Acta crystallographica Section B, Structural science, crystal engineering and materials, 73, pp. 827-835.

Formula: C6 Ba3 Mg3 O18

Cell parameters:

  • a = 5.01130(10) Å
  • b = 5.01130(10) Å
  • c = 33.5158(10) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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 Mg O6 (C2 Mg 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 6

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

Dimensionality: 2

Formula: C2 Mg O6 (C2 Mg 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 6

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

Dimensionality: 2

Formula: C2 Mg O6 (C2 Mg 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 6

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

Dimensionality: 2

Formula: C2 Mg O6 (C2 Mg 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 4, entity 5 of 6

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

Dimensionality: 2

Formula: C2 Mg O6 (C2 Mg 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 5, entity 6 of 6

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

Dimensionality: 2

Formula: C2 Mg O6 (C2 Mg 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}