Structure 1531125

1531124 << 1531125 >> 1531126
Original COD entry Download CIF Download DOT

Citation: Belokoneva, E.L.; Ivanova, A.G.; Dimitrova, O.V.; Stefanovich, S.Yu. (2002). New nonlinear optical crystals of Ln (B4 O6 (O H)2) Cl (Ln = Pr, Nd) and their structural relation to pentaborates in terms of the OD theory. Zhurnal Neorganicheskoi Khimii, 47, pp. 370-377.

Formula: B4 Cl H2 Nd O8

Chemical name: Nd (B4 O6 (O H)2) Cl

Cell parameters:

  • a = 6.486 Å
  • b = 11.156 Å
  • c = 9.641 Å
  • α = 90°
  • β = 105.28°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: B16 Cl4 Nd4 O32 (B4 Cl Nd O8)

Multiplicity: 1

Coordination sequences:

  • 2, 12, 15, 42, 44, 133, 107, 238, 179, 415
  • 2, 12, 15, 42, 44, 135, 107, 239, 180, 421
  • 2, 18, 22, 49, 49, 160, 124, 242, 182, 465
  • 3, 5, 22, 23, 79, 75, 193, 143, 321, 235
  • 3, 6, 29, 30, 83, 74, 209, 157, 326, 236
  • 3, 12, 15, 50, 49, 133, 107, 263, 195, 415
  • 3, 13, 15, 48, 50, 144, 114, 254, 185, 439
  • 3, 13, 15, 55, 55, 147, 119, 268, 194, 448
  • 3, 13, 15, 55, 56, 144, 113, 277, 205, 438
  • 3, 13, 16, 55, 55, 143, 113, 276, 205, 442
  • 3, 14, 14, 46, 50, 141, 112, 259, 190, 425
  • 4, 6, 28, 31, 84, 76, 204, 155, 332, 236
  • 4, 6, 28, 31, 86, 76, 204, 157, 343, 240
  • 10, 13, 35, 37, 120, 97, 206, 158, 393, 269
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