Structure 1008564

1008563 << 1008564 >> 1008565
Original COD entry Download CIF Download DOT

Citation: Pontonnier, L; Miraglia, S; Fruchart, D; Soubeyroux, J L; Baudry, A; Boyer, P (1992). Structural study of hyperstoichiometric alloys ZrMn~2+x~ and their hydrides. Journal of Alloys Compd., 186, pp. 241-248.

Formula: D2.332 Mn2.15 Zr0.85

Chemical name: Zirconium manganese deuteride (0.9/2.2/2.3)

Cell parameters:

  • a = 5.3889(10) Å
  • b = 5.3889(10) Å
  • c = 8.7660(11) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: D48 Mn12 Zr4 (D12 Mn3 Zr)

Multiplicity: 1

Coordination sequences:

  • 1, 40, 173, 495, 972, 1610, 2457, 3468, 4673, 5988
  • 4, 83, 288, 668, 1230, 1920, 2883, 3949, 5212, 6661
  • 4, 84, 291, 659, 1227, 1984, 2841, 3981, 5252, 6611
  • 4, 84, 295, 651, 1229, 1964, 2867, 3969, 5262, 6625
  • 4, 84, 299, 690, 1267, 1992, 2890, 4016, 5293, 6750
  • 24, 170, 426, 888, 1544, 2322, 3314, 4502, 5848, 7324
  • 24, 176, 462, 962, 1658, 2340, 3392, 4652, 6006, 7562
  • 41, 173, 495, 972, 1610, 2457, 3468, 4673, 5988, 7575
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