Structure 7704081

7704074 << 7704081 >> 7704097
Original COD entry Download CIF Download DOT

Citation: Kuo, Yu-Chen; Liu, Hsin-Kuan; Wang, Sue-Lein; Lii, Kwang-Hwa (2020). High-temperature, high-pressure hydrothermal synthesis, crystal structure, and infrared and NMR spectroscopy of a barium lead borate with a 2D layer structure: [Ba3Pb(H2O)][B11O19(OH)3].. Dalton transactions (Cambridge, England : 2003), 49, pp. 6220-6226.

Formula: B11 Ba3 H5 O23 Pb

Cell parameters:

  • a = 6.6580(2) Å
  • b = 30.3359(8) Å
  • c = 8.7411(2) Å
  • α = 90.00°
  • β = 90.9520(10)°
  • γ = 90.00°

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 2

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

Dimensionality: 2

Formula: B22 O46 Pb2 (B11 O23 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 3, 7, 6, 13, 9, 21
  • 1, 3, 3, 6, 5, 12, 8, 17, 12, 26
  • 1, 3, 4, 8, 4, 9, 6, 14, 12, 27
  • 1, 3, 4, 9, 5, 10, 7, 17, 15, 32
  • 2, 4, 3, 8, 4, 8, 7, 17, 11, 23
  • 2, 5, 3, 7, 7, 16, 11, 23, 16, 37
  • 2, 5, 4, 8, 5, 13, 9, 18, 12, 27
  • 2, 5, 4, 9, 5, 10, 7, 18, 14, 29
  • 2, 5, 4, 9, 8, 20, 16, 34, 26, 56
  • 2, 5, 4, 9, 8, 20, 19, 42, 30, 63
  • 2, 5, 4, 10, 7, 14, 11, 25, 18, 40
  • 2, 5, 4, 10, 10, 22, 15, 34, 26, 55
  • 2, 5, 4, 10, 10, 22, 17, 40, 31, 64
  • 2, 5, 5, 12, 7, 14, 11, 27, 22, 47
  • 2, 5, 5, 12, 9, 20, 16, 36, 27, 57
  • 2, 5, 5, 12, 10, 22, 19, 46, 33, 70
  • 2, 6, 4, 8, 6, 12, 8, 20, 15, 30
  • 2, 6, 5, 9, 4, 10, 9, 20, 15, 33
  • 2, 6, 5, 10, 5, 11, 10, 23, 17, 36
  • 2, 6, 5, 10, 9, 22, 19, 44, 31, 60
  • 2, 6, 5, 10, 9, 22, 20, 46, 31, 63
  • 2, 6, 6, 12, 10, 24, 19, 46, 34, 65
  • 3, 3, 7, 3, 7, 6, 13, 9, 21, 16
  • 3, 3, 7, 4, 9, 6, 14, 10, 21, 16
  • 3, 3, 8, 6, 14, 11, 22, 16, 38, 29
  • 3, 3, 8, 7, 16, 11, 24, 20, 45, 30
  • 3, 3, 8, 7, 16, 14, 32, 27, 60, 38
  • 3, 8, 3, 5, 5, 12, 8, 18, 15, 33
  • 4, 3, 6, 5, 12, 8, 17, 12, 26, 17
  • 4, 4, 8, 4, 9, 6, 14, 12, 27, 18
  • 4, 4, 8, 6, 16, 16, 36, 26, 55, 32
  • 4, 4, 9, 5, 10, 7, 17, 15, 32, 23
  • 4, 4, 9, 5, 10, 8, 19, 14, 30, 20
  • 4, 4, 9, 8, 18, 14, 34, 29, 59, 32
  • 4, 4, 9, 8, 18, 15, 36, 28, 58, 37
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: B22 O46 Pb2 (B11 O23 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 3, 7, 6, 13, 9, 21
  • 1, 3, 3, 6, 5, 12, 8, 17, 12, 26
  • 1, 3, 4, 8, 4, 9, 6, 14, 12, 27
  • 1, 3, 4, 9, 5, 10, 7, 17, 15, 32
  • 2, 4, 3, 8, 4, 8, 7, 17, 11, 23
  • 2, 5, 3, 7, 7, 16, 11, 23, 16, 37
  • 2, 5, 4, 8, 5, 13, 9, 18, 12, 27
  • 2, 5, 4, 9, 5, 10, 7, 18, 14, 29
  • 2, 5, 4, 9, 8, 20, 16, 34, 26, 56
  • 2, 5, 4, 9, 8, 20, 19, 42, 30, 63
  • 2, 5, 4, 10, 7, 14, 11, 25, 18, 40
  • 2, 5, 4, 10, 10, 22, 15, 34, 26, 55
  • 2, 5, 4, 10, 10, 22, 17, 40, 31, 64
  • 2, 5, 5, 12, 7, 14, 11, 27, 22, 47
  • 2, 5, 5, 12, 9, 20, 16, 36, 27, 57
  • 2, 5, 5, 12, 10, 22, 19, 46, 33, 70
  • 2, 6, 4, 8, 6, 12, 8, 20, 15, 30
  • 2, 6, 5, 9, 4, 10, 9, 20, 15, 33
  • 2, 6, 5, 10, 5, 11, 10, 23, 17, 36
  • 2, 6, 5, 10, 9, 22, 19, 44, 31, 60
  • 2, 6, 5, 10, 9, 22, 20, 46, 31, 63
  • 2, 6, 6, 12, 10, 24, 19, 46, 34, 65
  • 3, 3, 7, 3, 7, 6, 13, 9, 21, 16
  • 3, 3, 7, 4, 9, 6, 14, 10, 21, 16
  • 3, 3, 8, 6, 14, 11, 22, 16, 38, 29
  • 3, 3, 8, 7, 16, 11, 24, 20, 45, 30
  • 3, 3, 8, 7, 16, 14, 32, 27, 60, 38
  • 3, 8, 3, 5, 5, 12, 8, 18, 15, 33
  • 4, 3, 6, 5, 12, 8, 17, 12, 26, 17
  • 4, 4, 8, 4, 9, 6, 14, 12, 27, 18
  • 4, 4, 8, 6, 16, 16, 36, 26, 55, 32
  • 4, 4, 9, 5, 10, 7, 17, 15, 32, 23
  • 4, 4, 9, 5, 10, 8, 19, 14, 30, 20
  • 4, 4, 9, 8, 18, 14, 34, 29, 59, 32
  • 4, 4, 9, 8, 18, 15, 36, 28, 58, 37
span 1 {1 1 1}