Structure 4003326

4003325 << 4003326 >> 4003327
Original COD entry Download CIF Download DOT

Citation: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning (2016). AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures. Chemistry of Materials, 28, pp. 9122-.

Formula: B Br2 K O3 Zn2

Cell parameters:

  • a = 4.9618(6) Å
  • b = 4.9618(6) Å
  • c = 28.199(7) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

Combined 3D structure and graph

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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: B Br2 O3 Zn2 (B Br2 O3 Zn2)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 18, 30, 42, 54, 66, 78, 90, 102
  • 3, 6, 21, 36, 48, 60, 72, 84, 96, 108
  • 3, 12, 21, 36, 48, 60, 72, 84, 96, 108
  • 7, 18, 30, 42, 54, 66, 78, 90, 102, 114
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CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: B Br2 O3 Zn2 (B Br2 O3 Zn2)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 18, 30, 42, 54, 66, 78, 90, 102
  • 3, 6, 21, 36, 48, 60, 72, 84, 96, 108
  • 3, 12, 21, 36, 48, 60, 72, 84, 96, 108
  • 7, 18, 30, 42, 54, 66, 78, 90, 102, 114
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CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: B Br2 O3 Zn2 (B Br2 O3 Zn2)

Multiplicity: 1

Coordination sequences:

  • 1, 6, 18, 30, 42, 54, 66, 78, 90, 102
  • 3, 6, 21, 36, 48, 60, 72, 84, 96, 108
  • 3, 12, 21, 36, 48, 60, 72, 84, 96, 108
  • 7, 18, 30, 42, 54, 66, 78, 90, 102, 114
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