Structure 7243467

7243451 << 7243467 >> 7243477
Original COD entry Download CIF Download DOT

Citation: Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D. (2021). High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4. CrystEngComm, 23, pp. 6675-6681.

Formula: C4 Ca3 K2 O12

Cell parameters:

  • a = 7.3905(2) Å
  • b = 8.8156(3) Å
  • c = 16.4817(5) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1D

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 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C2 Ca2 K2 O6 (C Ca K O3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C2 Ca2 K2 O6 (C Ca K O3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}