Structure 1548816

1548815 << 1548816 >> 1548817
Original COD entry Download CIF Download DOT

Citation: Zhao, Qing; Kulik, Heather J. (2018). Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.. Journal of chemical theory and computation, , pp. -.

Formula: Se2 Ti

Chemical name: Titanium selenide

Cell parameters:

  • a = 3.536(1) Å
  • b = 3.536(1) Å
  • c = 6.004(1) Å
  • α = 90.°
  • β = 90.°
  • γ = 120.°

List type: noninterleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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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)

Dimensionality: 2

Formula: Se2 Ti (Se2 Ti)

Multiplicity: 1

RCSR Symbol: kgd

Coordination sequences:

  • 3, 12, 9, 24, 15, 36, 21, 48, 27, 60
  • 6, 6, 18, 12, 30, 18, 42, 24, 54, 30
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