Structure 1548817

1548816 << 1548817 >> 1548818
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: Ir O2

Chemical name: Iridium(IV) oxide

Cell parameters:

  • a = 4.5051(3) Å
  • b = 4.5051(3) Å
  • c = 3.1586(2) 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: Ir2 O4 (Ir O2)

Multiplicity: 1

RCSR Symbol: rtl

Coordination sequences:

  • 3, 14, 19, 62, 51, 144, 99, 254, 163, 400
  • 6, 10, 38, 34, 102, 74, 198, 130, 326, 202
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