Structure 1556757

1556756 << 1556757 >> 1556758
Original COD entry Download CIF Download DOT

Citation: Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi (2018). Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta2NiSe5.. IUCrJ, 5, pp. 158-165.

Formula: Ni Se5 Ta2

Cell parameters:

  • a = 3.4375(2) Å
  • b = 12.3750(10) Å
  • c = 15.4437(14) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: Ni2 Se10 Ta4 (Ni Se5 Ta2)

Multiplicity: 1

Coordination sequences:

  • 3, 14, 16, 28, 32, 46, 37, 60, 59, 78
  • 3, 17, 20, 32, 21, 55, 44, 64, 39, 93
  • 4, 16, 18, 26, 40, 40, 44, 56, 72, 64
  • 8, 11, 25, 21, 43, 32, 60, 42, 78, 53
  • 8, 16, 12, 36, 32, 48, 30, 74, 56, 80
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Ni2 Se10 Ta4 (Ni Se5 Ta2)

Multiplicity: 1

Coordination sequences:

  • 3, 14, 16, 28, 32, 46, 37, 60, 59, 78
  • 3, 17, 20, 32, 21, 55, 44, 64, 39, 93
  • 4, 16, 18, 26, 40, 40, 44, 56, 72, 64
  • 8, 11, 25, 21, 43, 32, 60, 42, 78, 53
  • 8, 16, 12, 36, 32, 48, 30, 74, 56, 80
span 1 {1 1 1}