Structure 2100705

2100704 << 2100705 >> 2100718
Original COD entry Download CIF Download DOT

Citation: S\/orby, Magnus H.; Fjellv\%ag, Helmer; Hauback, Bj\/orn C.; Gunnaes, Anette E.; L\/ovvik, Ole Martin (2006). The crystal structure of Zr~2~NiD~4.5~. Acta Crystallographica Section B, 62, pp. 972-978.

Formula: D9 Ni2 Zr4

Chemical name: ?

Cell parameters:

  • a = 6.81560(7) Å
  • b = 8.85137(9) Å
  • c = 8.88007(10) Å
  • α = 79.8337(8)°
  • β = 90.0987(9)°
  • γ = 90.3634(9)°

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: D36 Ni8 Zr16 (D9 Ni2 Zr4)

Multiplicity: 1

Coordination sequences:

  • 1, 12, 52, 144, 253, 437, 614, 836, 1120, 1464
  • 2, 20, 78, 184, 306, 484, 685, 974, 1220, 1523
  • 2, 22, 73, 182, 296, 497, 694, 925, 1209, 1577
  • 2, 24, 77, 189, 304, 509, 697, 949, 1235, 1590
  • 3, 23, 98, 182, 340, 505, 746, 951, 1275, 1627
  • 3, 24, 92, 184, 341, 503, 720, 973, 1283, 1583
  • 3, 25, 89, 188, 324, 500, 724, 980, 1255, 1602
  • 3, 25, 90, 196, 333, 502, 730, 982, 1275, 1586
  • 3, 26, 88, 193, 336, 502, 736, 968, 1272, 1597
  • 3, 27, 86, 192, 333, 520, 722, 976, 1278, 1609
  • 3, 27, 89, 190, 341, 503, 733, 960, 1310, 1589
  • 3, 32, 86, 216, 332, 545, 731, 1030, 1292, 1660
  • 4, 32, 100, 227, 360, 537, 787, 1057, 1338, 1654
  • 4, 32, 101, 229, 354, 538, 783, 1072, 1318, 1625
  • 4, 33, 96, 208, 345, 524, 754, 1015, 1288, 1627
  • 4, 33, 97, 200, 356, 544, 742, 978, 1327, 1679
  • 4, 33, 99, 197, 356, 537, 763, 957, 1343, 1660
  • 4, 37, 91, 234, 343, 568, 760, 1046, 1289, 1701
  • 11, 54, 140, 260, 413, 603, 853, 1142, 1404, 1752
  • 12, 52, 145, 249, 405, 607, 874, 1095, 1416, 1772
  • 12, 57, 145, 259, 413, 634, 848, 1110, 1451, 1808
  • 12, 58, 139, 268, 413, 609, 860, 1154, 1397, 1765
  • 12, 59, 137, 268, 421, 619, 844, 1139, 1442, 1787
  • 12, 61, 130, 261, 412, 615, 848, 1131, 1404, 1786
  • 12, 62, 128, 263, 421, 627, 827, 1116, 1450, 1818
  • 13, 52, 144, 253, 437, 614, 836, 1120, 1464, 1798
  • 13, 53, 142, 260, 420, 598, 868, 1130, 1428, 1738
  • 14, 47, 146, 255, 414, 613, 861, 1107, 1423, 1780
  • 14, 50, 143, 244, 437, 616, 833, 1096, 1478, 1793
  • 14, 53, 147, 255, 426, 612, 856, 1120, 1458, 1777
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