Structure 2022959

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Original COD entry Download CIF Download DOT

Citation: Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr (2024). Synthesis, crystal structure and hydrogenation properties of MgxLi3 - xB48 - y (x = 1.11, y = 0.40).. Acta crystallographica. Section E, Crystallographic communications, 80, pp. 10-13.

Formula: B47.6 Li1.89 Mg1.11

Chemical name: Magnesium lithium boride (1.11/1.89/47.60)

Cell parameters:

  • a = 10.1905(6) Å
  • b = 10.1905(6) Å
  • c = 14.4709(10) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

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 1

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

Dimensionality: 3

Formula: B192 Li12 Mg12 (B16 Li Mg)

Multiplicity: 1

Coordination sequences:

  • 1, 12, 27, 52, 89, 151, 229, 312, 380, 490
  • 3, 14, 29, 54, 122, 164, 212, 334, 415, 490
  • 3, 14, 37, 76, 125, 184, 236, 335, 466, 561
  • 6, 16, 43, 77, 131, 193, 262, 337, 462, 582
  • 6, 17, 44, 86, 121, 195, 259, 351, 474, 591
  • 6, 17, 49, 91, 128, 192, 274, 374, 479, 594
  • 6, 18, 54, 83, 120, 200, 281, 350, 482, 573
  • 6, 19, 43, 91, 132, 183, 279, 354, 454, 599
  • 6, 19, 44, 76, 141, 185, 265, 362, 476, 588
  • 6, 19, 51, 84, 141, 199, 272, 359, 502, 609
  • 6, 20, 49, 104, 140, 192, 280, 378, 513, 642
  • 7, 19, 53, 90, 139, 194, 265, 388, 494, 586
  • 7, 21, 48, 80, 133, 212, 271, 359, 453, 594
  • 7, 21, 52, 88, 130, 203, 282, 389, 476, 572
  • 7, 22, 49, 81, 141, 201, 277, 382, 482, 589
  • 7, 22, 49, 83, 137, 211, 269, 366, 476, 591
  • 7, 23, 56, 82, 126, 217, 297, 364, 496, 590
  • 7, 24, 46, 82, 135, 193, 286, 366, 455, 598
  • 7, 24, 47, 83, 138, 203, 285, 366, 472, 604
  • 7, 24, 49, 83, 135, 216, 293, 354, 486, 616
  • 8, 18, 38, 95, 125, 177, 270, 358, 462, 568
  • 8, 18, 43, 80, 136, 189, 259, 368, 448, 573
  • 8, 18, 47, 88, 127, 201, 266, 371, 474, 590
  • 8, 25, 47, 86, 141, 213, 284, 391, 483, 580
  • 8, 25, 48, 78, 135, 220, 284, 378, 465, 601
  • 8, 26, 49, 91, 137, 214, 298, 388, 487, 596
  • 8, 27, 49, 88, 138, 221, 314, 384, 496, 623
  • 11, 26, 45, 96, 159, 187, 308, 405, 468, 606
  • 13, 27, 52, 89, 151, 229, 312, 380, 490, 654
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