Structure 4134711

4134693 << 4134711 >> 4134801
Original COD entry Download CIF Download DOT

Citation: Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran (2020). Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.. Journal of the American Chemical Society, 142, pp. 7480-7486.

Formula: Li0.687 Nb5 O15 Pb2.157

Cell parameters:

  • a = 12.38233(11) Å
  • b = 12.66874(12) Å
  • c = 7.66215(6) Å
  • α = 90°
  • β = 90°
  • 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: Li4 Nb20 O60 Pb10 (Li2 Nb10 O30 Pb5)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 23, 36, 79, 121, 179, 220, 374, 415
  • 1, 9, 30, 36, 87, 111, 220, 237, 382, 404
  • 2, 4, 21, 30, 87, 98, 216, 195, 383, 433
  • 2, 10, 13, 49, 71, 163, 157, 275, 361, 494
  • 2, 10, 16, 58, 69, 146, 180, 280, 374, 449
  • 2, 10, 16, 60, 70, 151, 190, 291, 357, 470
  • 2, 11, 18, 62, 60, 161, 198, 291, 326, 505
  • 2, 11, 19, 63, 77, 171, 195, 311, 346, 538
  • 2, 12, 20, 54, 64, 159, 175, 286, 324, 491
  • 2, 12, 24, 56, 76, 175, 189, 293, 346, 523
  • 2, 13, 28, 54, 77, 173, 186, 308, 326, 542
  • 2, 14, 35, 72, 81, 179, 204, 349, 359, 550
  • 3, 11, 12, 49, 77, 171, 156, 297, 346, 532
  • 3, 12, 14, 59, 88, 156, 176, 296, 397, 469
  • 3, 13, 20, 70, 76, 159, 215, 313, 372, 495
  • 3, 14, 22, 63, 77, 178, 178, 307, 385, 519
  • 3, 14, 26, 71, 77, 173, 171, 352, 354, 531
  • 3, 16, 27, 67, 83, 174, 192, 320, 376, 511
  • 3, 17, 25, 61, 93, 162, 177, 318, 377, 496
  • 3, 18, 31, 62, 97, 174, 204, 307, 404, 504
  • 3, 18, 32, 58, 99, 168, 244, 289, 418, 486
  • 3, 19, 35, 56, 101, 166, 223, 314, 387, 524
  • 4, 6, 28, 40, 106, 119, 219, 241, 381, 490
  • 4, 7, 32, 36, 105, 127, 218, 264, 387, 455
  • 4, 22, 29, 62, 95, 183, 222, 305, 403, 535
  • 6, 8, 33, 54, 132, 134, 239, 302, 447, 492
  • 6, 10, 41, 54, 115, 154, 239, 322, 401, 534
  • 7, 14, 47, 49, 130, 167, 261, 293, 462, 505
  • 8, 19, 43, 61, 135, 152, 268, 297, 461, 514
  • 8, 19, 49, 60, 136, 150, 285, 301, 469, 509
  • 10, 23, 36, 79, 121, 179, 220, 374, 415, 529
  • 10, 30, 36, 87, 111, 220, 237, 382, 404, 593
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