Structure 1532389

1532388 << 1532389 >> 1532390
Original COD entry Download CIF Download DOT

Citation: Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Dimitrova, O.V.; Kantor, A.P. (2002). Crystal structure of new synthetic (Ca, Na, Li)-carbonate-borate. Kristallografiya, 47, pp. 623-630.

Formula: C H5.2 B22 Ca6.1 Li5 Na1.6 O47

Chemical name: Ca4 (Ca0.7 Na0.3)3 Na0.7 Li5 (B22 O39 (O H)3) (C O3) (O H) ((O H)0.8 (H2 O)0.2)

Cell parameters:

  • a = 8.99 Å
  • b = 8.99 Å
  • c = 35.91 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 3

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

Dimensionality: 2

Formula: B22 O42 (B11 O21)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 6, 13, 7, 12
  • 1, 2, 2, 5, 4, 9, 8, 19, 14, 26
  • 2, 5, 3, 6, 5, 11, 7, 13, 7, 15
  • 2, 5, 3, 6, 6, 16, 14, 28, 14, 29
  • 2, 5, 3, 7, 6, 12, 8, 19, 16, 33
  • 2, 5, 4, 9, 7, 14, 8, 17, 10, 18
  • 2, 5, 5, 11, 8, 19, 14, 25, 11, 25
  • 2, 5, 5, 12, 10, 22, 16, 36, 22, 41
  • 2, 6, 5, 9, 5, 10, 6, 13, 8, 15
  • 2, 6, 5, 9, 6, 13, 7, 12, 6, 16
  • 2, 6, 5, 10, 6, 12, 10, 25, 19, 36
  • 2, 6, 5, 10, 8, 19, 14, 26, 14, 35
  • 3, 2, 5, 4, 8, 6, 13, 7, 12, 6
  • 3, 2, 5, 4, 9, 8, 19, 14, 26, 14
  • 3, 3, 8, 7, 14, 8, 18, 11, 19, 10
  • 3, 3, 9, 9, 18, 12, 30, 24, 48, 18
  • 4, 4, 8, 5, 11, 7, 13, 7, 15, 10
  • 4, 4, 8, 6, 16, 14, 28, 14, 29, 21
  • 4, 4, 9, 6, 12, 8, 19, 16, 33, 21
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: B22 O42 (B11 O21)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 6, 13, 7, 12
  • 1, 2, 2, 5, 4, 9, 8, 19, 14, 26
  • 2, 5, 3, 6, 5, 11, 7, 13, 7, 15
  • 2, 5, 3, 6, 6, 16, 14, 28, 14, 29
  • 2, 5, 3, 7, 6, 12, 8, 19, 16, 33
  • 2, 5, 4, 9, 7, 14, 8, 17, 10, 18
  • 2, 5, 5, 11, 8, 19, 14, 25, 11, 25
  • 2, 5, 5, 12, 10, 22, 16, 36, 22, 41
  • 2, 6, 5, 9, 5, 10, 6, 13, 8, 15
  • 2, 6, 5, 9, 6, 13, 7, 12, 6, 16
  • 2, 6, 5, 10, 6, 12, 10, 25, 19, 36
  • 2, 6, 5, 10, 8, 19, 14, 26, 14, 35
  • 3, 2, 5, 4, 8, 6, 13, 7, 12, 6
  • 3, 2, 5, 4, 9, 8, 19, 14, 26, 14
  • 3, 3, 8, 7, 14, 8, 18, 11, 19, 10
  • 3, 3, 9, 9, 18, 12, 30, 24, 48, 18
  • 4, 4, 8, 5, 11, 7, 13, 7, 15, 10
  • 4, 4, 8, 6, 16, 14, 28, 14, 29, 21
  • 4, 4, 9, 6, 12, 8, 19, 16, 33, 21
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: B22 O42 (B11 O21)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 6, 13, 7, 12
  • 1, 2, 2, 5, 4, 9, 8, 19, 14, 26
  • 2, 5, 3, 6, 5, 11, 7, 13, 7, 15
  • 2, 5, 3, 6, 6, 16, 14, 28, 14, 29
  • 2, 5, 3, 7, 6, 12, 8, 19, 16, 33
  • 2, 5, 4, 9, 7, 14, 8, 17, 10, 18
  • 2, 5, 5, 11, 8, 19, 14, 25, 11, 25
  • 2, 5, 5, 12, 10, 22, 16, 36, 22, 41
  • 2, 6, 5, 9, 5, 10, 6, 13, 8, 15
  • 2, 6, 5, 9, 6, 13, 7, 12, 6, 16
  • 2, 6, 5, 10, 6, 12, 10, 25, 19, 36
  • 2, 6, 5, 10, 8, 19, 14, 26, 14, 35
  • 3, 2, 5, 4, 8, 6, 13, 7, 12, 6
  • 3, 2, 5, 4, 9, 8, 19, 14, 26, 14
  • 3, 3, 8, 7, 14, 8, 18, 11, 19, 10
  • 3, 3, 9, 9, 18, 12, 30, 24, 48, 18
  • 4, 4, 8, 5, 11, 7, 13, 7, 15, 10
  • 4, 4, 8, 6, 16, 14, 28, 14, 29, 21
  • 4, 4, 9, 6, 12, 8, 19, 16, 33, 21
span 1 {1 1 1}