Structure 1548809

1548807 << 1548809 >> 1548810
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: H2 Mn O2

Chemical name: Manganese hydroxide

Cell parameters:

  • a = 3.25 Å
  • b = 3.25 Å
  • c = 4.48 Å
  • α = 90.°
  • β = 90.°
  • γ = 120.°

List type: noninterleaving

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 1

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

Dimensionality: 2

Formula: H2 Mn O2 (H2 Mn O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 12, 21, 24, 39, 36, 57, 48, 75
  • 4, 12, 21, 24, 39, 36, 57, 48, 75, 60
  • 6, 12, 18, 30, 30, 48, 42, 66, 54, 84
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