Structure 4124171

4124143 << 4124171 >> 4124175
Original COD entry Download CIF Download DOT

Citation: Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R.; Young, Joshua; Rondinelli, James M. (2015). Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups.. Journal of the American Chemical Society, 137, pp. 9417-9422.

Formula: B3 Ba3 Cl O9 Pb2

Chemical name: ?

Cell parameters:

  • a = 10.4706(11) Å
  • b = 14.4379(15) Å
  • c = 7.9454(9) Å
  • α = 90.00°
  • β = 90.00°
  • 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: (0;1;0 0;0;1)

Dimensionality: 2

Formula: B6 O18 Pb4 (B3 O9 Pb2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 4, 8, 4, 8, 8, 16
  • 2, 4, 3, 6, 4, 8, 6, 12, 8, 16
  • 3, 2, 4, 4, 8, 4, 8, 8, 16, 8
  • 3, 3, 6, 3, 6, 6, 12, 6, 12, 12
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: B6 O18 Pb4 (B3 O9 Pb2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 4, 8, 4, 8, 8, 16
  • 2, 4, 3, 6, 4, 8, 6, 12, 8, 16
  • 3, 2, 4, 4, 8, 4, 8, 8, 16, 8
  • 3, 3, 6, 3, 6, 6, 12, 6, 12, 12
span 1 {1 1 1}