Structure 1561848

1561847 << 1561848 >> 1561849
Original COD entry Download CIF Download DOT

Citation: Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur (2015). Noncentrosymmetric rare-earth copper gallium chalcogenides RE3CuGaCh7 (RE=La--Nd; Ch=S, Se): An unexpected combination. Journal of Solid State Chemistry, 229, pp. 150-159.

Formula: Cu Ga Nd3 Se7

Chemical name: neodymium copper gallium selenide (3/1/1/7)

Cell parameters:

  • a = 10.3426(9) Å
  • b = 10.3426(9) Å
  • c = 6.3869(6) 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: Cu4 Ga2 Nd6 Se14 (Cu2 Ga Nd3 Se7)

Multiplicity: 1

Coordination sequences:

  • 4, 9, 55, 62, 133, 159, 349, 374, 545, 608
  • 4, 23, 35, 96, 110, 246, 279, 442, 491, 737
  • 4, 24, 40, 92, 115, 264, 289, 428, 479, 770
  • 5, 22, 34, 101, 130, 225, 261, 456, 519, 658
  • 9, 18, 58, 73, 172, 198, 350, 388, 594, 639
  • 10, 28, 55, 121, 175, 250, 307, 502, 562, 691
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