Structure 2310709

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Original COD entry Download CIF Download DOT

Citation: Albe, K.; Weirich, T. E. (2003). Structure and stability of \a- and \b-Ti~2~Se. Electron diffraction versus density-functional theory calculations. Acta Crystallographica Section A, 59, pp. 18-21.

Formula: Se Ti2

Chemical name: Ti2 Se

Cell parameters:

  • a = 17.923 Å
  • b = 3.455 Å
  • c = 9.517 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: Se12 Ti24 (Se Ti2)

Multiplicity: 1

Coordination sequences:

  • 7, 36, 81, 148, 235, 340, 460, 624, 783, 938
  • 8, 36, 76, 142, 227, 331, 456, 625, 780, 953
  • 9, 36, 80, 152, 235, 347, 473, 623, 778, 983
  • 10, 34, 84, 147, 225, 346, 458, 614, 793, 967
  • 10, 35, 80, 152, 227, 338, 487, 627, 783, 963
  • 11, 36, 89, 155, 243, 343, 482, 628, 771, 975
  • 11, 38, 86, 149, 241, 337, 480, 628, 799, 983
  • 11, 39, 84, 148, 248, 355, 475, 619, 799, 1014
  • 11, 42, 88, 155, 249, 363, 475, 608, 810, 996
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