Structure 4002982

4002981 << 4002982 >> 4002984
Original COD entry Download CIF Download DOT

Citation: Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning (2019). Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials. Chemistry of Materials, 31, pp. 2130-.

Formula: C3 H15 Cl O25 Y8

Cell parameters:

  • a = 9.5353(12) Å
  • b = 9.5353(12) Å
  • c = 14.729(5) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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: C6 H30 O50 Y16 (C3 H15 O25 Y8)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 31, 90, 200, 401, 632, 920, 1344, 1712
  • 1, 3, 32, 84, 201, 407, 594, 953, 1319, 1692
  • 1, 3, 32, 84, 212, 420, 612, 964, 1337, 1732
  • 2, 15, 58, 129, 326, 497, 774, 1173, 1512, 1931
  • 2, 16, 56, 141, 307, 527, 771, 1134, 1558, 2007
  • 2, 18, 57, 136, 332, 507, 777, 1199, 1510, 1948
  • 3, 4, 38, 117, 235, 455, 736, 994, 1437, 1887
  • 3, 22, 82, 181, 336, 632, 891, 1225, 1714, 2134
  • 4, 28, 92, 197, 388, 637, 917, 1328, 1693, 2246
  • 4, 30, 87, 205, 405, 617, 934, 1340, 1711, 2236
  • 4, 30, 117, 213, 381, 709, 960, 1320, 1803, 2256
  • 4, 31, 90, 200, 401, 632, 920, 1344, 1712, 2240
  • 4, 32, 84, 201, 407, 594, 953, 1319, 1692, 2230
  • 4, 32, 84, 212, 420, 612, 964, 1337, 1732, 2158
  • 13, 57, 144, 288, 513, 834, 1114, 1551, 2016, 2415
  • 14, 58, 153, 275, 529, 788, 1122, 1527, 1995, 2509
  • 15, 57, 132, 302, 522, 726, 1136, 1569, 1902, 2528
  • 17, 58, 129, 326, 497, 774, 1173, 1512, 1931, 2562
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